| ID | Name | CAS | Properties |
McVol (ml/mol) |
| 43-021-0 |
Phosphoro diamidic acid, n,n'-bis (2,4-dimethyl phenyl), ethyl ester
|
|
4 | 269.120 |
| 43-060-7 |
7-Chloro-3-methyl-quinoline-8-carboxylic acid, butyl ester
|
|
4 | 208.650 |
| 43-197-6 |
5-O-benzoyl-n-benzyl-2,3-o-(1-methylethylidene)-n-(trifluoroacetyl)pentofuranosylamine
|
|
4 | 321.690 |
| 43-198-5 |
P-toluenesulfonamide, n,n'-(1,4-cyclohexylene)bis[n-(2-hydroxyethyl)-, diacetate
|
|
4 | 438.020 |
| 43-867-2 |
5-(2-ethyl,5-methylheptanyl)-3-methyl-2H-pyran-2-one
|
|
4 | 224.280 |
| 43-935-6 |
N-tert-Butyl-N'-acetyl-6-chloro-1,3,5-triazine-2,4-diamine
|
|
4 | 177.620 |
| 44-014-7 |
Butyric acid,4-hydroxy-2-(o-hydroxyphenyl)-2-phenyl-,gamma-lactone
|
93011-89-3 |
4 | 191.230 |
| 44-414-3 |
1,3,5-Triazin-2(1H)-one, 4,6-diamino-
|
645-92-1 |
4 | 85.140 |
| 44-815-8 |
6-Chloro-N,N'-(cyclopropyl)-[1,3,5]triazine-2,4-diamine
|
|
4 | 154.330 |
| 44-853-6 |
4,7-Methanobenzofuran, 2,2'-oxybis[octahydro-7,8,8-trimethyl-, [2«alpha»(2'R*,3'aS*,4'R*,7'R*,7'aS*),3a«alpha»,4«alpha»,7«alpha»,7a«alpha»]-
|
|
4 | 301.470 |
| 44-903-0 |
Urea, 1-(2-chloroethyl)-3-tricyclo[2.2.1.0^2^,^6]hept-3-yl-
|
33298-50-9 |
4 | 152.950 |
| 45-215-3 |
6-Chloro-2-methyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide
|
90606-97-6 |
4 | 187.320 |
| 45-373-8 |
2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 2-pentyl ester
|
|
4 | 279.670 |
| 45-542-0 |
Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»(E)]]-
|
1172-63-0 |
4 | 302.670 |
| 46-137-9 |
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-
|
|
4 | 167.230 |
| 46-416-9 |
5«beta»-Androstan-3«alpha»-ol-11,17-dione, MO
|
|
4 | 292.280 |
| 46-726-5 |
Cyclohexanemalonic acid, 4,4-dimethyl-alpha-hydroxy-2-(1-hydroxyethyl)-,gamma,delta-dilactone
|
|
4 | 176.330 |
| 47-380-8 |
3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl), PFBO # 1
|
|
4 | 269.840 |
| 47-657-1 |
3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-
|
|
4 | 249.160 |
| 47-807-4 |
Cholest-8-en-3-ol, 14-methyl-, (3.beta.,5.alpha.)-
|
|
4 | 363.510 |
| 48-027-9 |
Benzamide, 2,5-dichloro-n-cyanomethyl-n-ethyl-3-nitro-
|
|
4 | 196.920 |
| 48-043-1 |
O,O-Dimethyl O-(2,4,5-trichloro)phenyl phosphate
|
3983-45-7 |
4 | 180.480 |
| 48-387-0 |
7-isopropyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (ITBD)
|
|
4 | 155.680 |
| 48-545-4 |
Carbamic acid, dimethyl-, 2-(formylmethylamino)-5,6-dimethyl-4-pyrimidinyl ester
|
27218-04-8 |
4 | 191.020 |
| 48-699-4 |
Furan-2(3h)-one, 5- (bromomethyl)-4,5-dihydro-3-(o-hydroxyphenyl)-3-phenyl-
|
94574-85-3 |
4 | 222.820 |
| 48-744-3 |
2-Methoxy-4,6-bis(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine
|
|
4 | 220.590 |
| 48-768-7 |
1,2-DIHYDRO-4-METHOXYMETHYL-6-METHYL-2-OXO-3-PYRIDINECARBONITRILE
|
|
4 | 137.010 |
| 49-242-9 |
5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
|
|
4 | 225.360 |
| 49-527-3 |
3,7-Diphenyl-5-(p-dimethylaminophenyl)-1,2(4H)-diazepine
|
|
4 | 298.010 |
| 49-780-2 |
2,3A-ethanoindan, 3a,4,5,6-tetrahydro-1,1,4,4-tetramethyl-
|
17015-38-2 |
4 | 185.330 |
| 49-927-9 |
3,3,7,11-TETRAMETHYLTRICYCLO[5.4.0.0(4,11)]UNDECAN-1-OL
|
|
4 | 195.500 |
| 51-050-9 |
7, 7-Dimethoxy-1, 4, 5, 6-tetrachlorobicyclo [2. 2. 1]-5-heptene-2-carboxylic acid
|
124715-79-3 |
4 | 193.880 |
| 51-399-3 |
Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester
|
100996-43-8 |
4 | 374.470 |
| 52-095-9 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 3,6-dimethyl-
|
|
4 | 134.370 |
| 54-943-5 |
O-methyl,o-(2,4,5,-trichlorophenyl)-tert-butyl phosphoramidothioate
|
16805-76-8 |
4 | 237.340 |
| 55-533-9 |
1-Propanamine, N,N-dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-
|
642-72-8 |
4 | 251.700 |
| 56-352-9 |
21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetramethyl-, tetramethyl ester
|
25767-20-8 |
4 | 542.540 |
| 56-449-2 |
1,3-Di(p-nitrobenzyl)-5-amyl-5-ethylbarbituric acid
|
116465-41-9 |
4 | 364.240 |
| 56-689-6 |
Bicyclo[2.2.1]hept-5-en-2-ol, 2-ethenyl-, (exo)-
|
|
4 | 113.220 |
| 56-707-5 |
3-Cyano-5-(cyanofurazanyl)-1,2,4-oxadiazole N-oxide
|
|
4 | 116.770 |
| 56-753-4 |
7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, dodecahydro-, [7S-(7«alpha»,7a«alpha»,14«alpha»,14a«alpha»)]-
|
486-87-3 |
4 | 200.300 |
| 57-449-1 |
2,4,6-Tris(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine
|
28820-59-9 |
4 | 271.290 |
| 58-070-0 |
Bicyclo[2.4.0]octan-2-one, 3,3-dimethyl-5-oxa-
|
|
4 | 123.390 |
| 58-182-6 |
2-Thiopheneacetic acid, 2-methyloct-5-yn-4-yl ester
|
|
4 | 217.940 |
| 58-327-5 |
(1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methanol
|
|
4 | 176.870 |
| 58-411-1 |
Acetamide, N-[2-[3,4-bis(acetyloxy)phenyl]-2-hydroxyethyl]-N-methyl-
|
55712-68-0 |
4 | 230.750 |
| 59-004-2 |
2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl), PFBO # 1
|
|
4 | 274.140 |
| 59-016-9 |
3,3-Dimethyl-5-0xa bicyclo[2.4.0]octan-2-ol
|
|
4 | 127.690 |
| 59-250-9 |
6,6,12,12-Tetramethyl-1,4,8,11-tetroxadispiro-[4.1.4.1]dodecane
|
|
4 | 170.840 |
| 59-414-7 |
1-Benzoxepin-5-carboxylic acid,2,3,4,5-tetrahydro-3-hydroxy-5-phenyl-,gamma-lactone
|
94540-95-1 |
4 | 194.460 |
| 59-692-9 |
2H-Imidazo[4,5-b]pyridin-2-one, 1,3-dihydro-
|
|
4 | 92.290 |
| 59-731-5 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, ethyl ester
|
|
4 | 231.850 |
| 59-846-8 |
3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-
|
41927-50-8 |
4 | 134.370 |
| 59-946-7 |
1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-
|
|
4 | 186.690 |
| 60-247-1 |
2,6-Pyridinedicarboxylic acid, 4-bromo-2-methoxybenzyl ethyl ester
|
|
4 | 251.100 |
| 60-509-0 |
2-Thiopheneacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
|
|
4 | 241.820 |
| 60-846-6 |
9H-purine, 6-chloro-9-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-
|
39824-26-5 |
4 | 209.030 |
| 60-850-1 |
Phosphorothioic acid, O,O-diethyl O-(p-methylsulfonyl)phenyl ester
|
14255-72-2 |
4 | 224.600 |
| 60-914-0 |
7-ethyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (ETBD)
|
|
4 | 141.590 |
| 61-252-4 |
2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl), PFBO # 2
|
|
4 | 274.140 |
| 61-596-3 |
1,2,3-Trimethyltetrahydro-1,3,2-diazaphosphole 2-oxide
|
16606-18-1 |
4 | 116.740 |
| 62-292-9 |
Heptanoic acid, 2,2,4-trimethyl-3-hydroxy-, beta-lactone
|
|
4 | 148.340 |
| 62-557-5 |
Phosphoramidothioic acid, o-ethyl-o-(2,4,5-trichlorophenyl) ester
|
2775-95-3 |
4 | 195.070 |
| 62-566-5 |
2,6-Pyridinedicarboxylic acid, ethyl 5-methoxy-3-methylpent-2-yl ester
|
|
4 | 243.270 |
| 62-839-2 |
(4,6-Dichloro-[1,3,5]triazin-2-yl)-(1,1,3,3-tetramethyl-butyl)-amine
|
|
4 | 206.490 |
| 63-024-5 |
Phosphorothioic acid, O-(6-ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl ester
|
38260-54-7 |
4 | 208.250 |
| 63-147-9 |
1,5-Dimethyl-5-(6-oxocyclohexen-1-yl)hexahydropyrimidine-2,4,6-trione
|
|
4 | 180.160 |
| 64-755-3 |
N2-Cyclopropyl-1,3,5-triazine-2,4,6-triamine N4,N6-diacetyl
|
|
4 | 180.160 |
| 64-814-7 |
3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl), PFBO # 2
|
|
4 | 269.840 |
| 64-891-2 |
2,6-Pyridinedicarboxylic acid, ethyl 2,4,4-trimethylpentyl ester
|
|
4 | 251.490 |
| 65-097-3 |
2,3-Diazabicyclo[2.2.2]octane,2,3-dimethyl-,trans-
|
53779-85-4 |
4 | 121.820 |
| 65-421-2 |
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]-
|
4466-14-2 |
4 | 281.140 |
| 66-400-4 |
2-Benzyl-4,4-6-trimethyl-5,6-dihydro-1,3-oxazine
|
|
4 | 185.050 |
| 66-636-3 |
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1«alpha»,2«beta»,4«beta»)-
|
33880-83-0 |
4 | 198.450 |
| 66-828-0 |
O-methyl,o-(2,4,5-trichlorophenyl)n-ethyl phosphoramidothioate
|
|
4 | 209.160 |
| 66-881-1 |
Ethanimidothioic acid, 2-(dimethylamino)-N-hydroxy-2-oxo-, methyl ester
|
30558-43-1 |
4 | 120.760 |
| 67-851-3 |
5-(2,5-dimethylheptanyl)-3-methyl-2H-pyran-2-one, diastereomer 2
|
|
4 | 210.190 |
| 68-176-2 |
2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methylbutyl)-
|
|
4 | 196.600 |
| 68-780-1 |
BICYCLO[3.2.0]HEPT-2-EN-6-ONE, 7,7-DICHLORO-
|
|
4 | 109.520 |
| 69-055-5 |
Carbanilic acid, 2,4-di-tert-butyl-, 2-chloroethyl ester
|
|
4 | 256.290 |
| 69-228-3 |
5-Octen-2-one, 6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
|
55638-41-0 |
4 | 246.590 |
| 69-379-6 |
3-Amino-3-(4-fluorophenyl)propionic acid, N-dimethylaminomethylene-, ethyl ester
|
|
4 | 209.230 |
| 69-521-7 |
Urea, 1-(4-amino-3,5-dichlorophenyl)-3-(2-chloroethyl)-
|
13908-36-6 |
4 | 182.140 |
| 70-181-3 |
Bis-(4-(2,5-dioxo-2,5-dihydropyrrol-1-yl)-phenyl)-ether
|
|
4 | 246.930 |
| 70-820-3 |
5-(2,5-dimethylheptanyl)-3-methyl-2H-pyran-2-one, diastereomer 1
|
|
4 | 210.190 |
| 71-785-2 |
4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one
|
24724-52-5 |
4 | 213.140 |
| 74-355-6 |
Benzofuran, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-5-isopropenyl-, trans-
|
17910-09-7 |
4 | 189.160 |
| 74-407-8 |
5,5'-Methylene-bis(2-keto-1,3-dimethyltetrahydro-1,3,5-triazine
|
126591-36-4 |
4 | 207.150 |
| 74-453-7 |
(R)-9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one
|
482-25-7 |
4 | 233.100 |
| 74-831-7 |
Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, gamma-lactone, triacetate
|
97101-00-3 |
4 | 202.070 |
| 75-216-9 |
4H-1-BENZOPYRANE-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-
|
|
4 | 190.450 |
| 75-229-5 |
1H-1,2,4-Triazole-1-ethanol, «beta»-((2,4-dichlorophenyl)methyl)-«alpha»-(1,1-dimethylethyl)-,(R*,R*)-(.+/-.)-
|
75736-33-3 |
4 | 239.280 |
| 75-233-0 |
(4aS,8aS)-3,8a-Dimethyl-5-methylene-4,4a,5,6,8a,9-hexahydronaphtho[2,3-b]furan
|
2221-88-7 |
4 | 178.300 |
| 75-235-8 |
3,5,8a-Trimethyl-4,6,8a,9-tetrahydronaphtho[2,3-b]furan
|
631868-96-7 |
4 | 178.300 |
| 75-479-8 |
trans-2-Isopropylbicylclo[4.3.0]non-3-ene-8-one
|
|
4 | 155.490 |
| 75-521-0 |
1,7,7-Trimethyl-2-vinylbicyclo[2.2.1]hept-2-ene
|
130930-56-2 |
4 | 149.620 |
| 77-059-2 |
7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, dodecahydro-2-hydroxy-, [2S-(2«alpha»,7«alpha»,7a«beta»,14«alpha»,14a«alpha»)]-
|
23360-87-4 |
4 | 206.170 |
| 77-092-5 |
2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy-
|
574-84-5 |
4 | 137.890 |
| 77-563-2 |
3-Oxabicyclo[3.2.1.]octane-2,4-dione, 6,7-dihydroxy-, 6,7-diacetate
|
13190-77-7 |
4 | 168.020 |
| 77-837-8 |
2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-
|
|
4 | 102.560 |
|
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