| ID | Name | CAS | Properties |
McVol (ml/mol) |
| 27-356-7 |
2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-
|
10328-92-4 |
7 | 122.040 |
| 27-395-4 |
1-Phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-
|
13601-88-2 |
7 | 248.750 |
| 27-525-9 |
Fumaric acid, monoamide, N,N-dimethyl-, 2,3-dichlorophenyl ester
|
|
7 | 195.350 |
| 27-574-5 |
2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro-, methyl ester
|
|
7 | 149.850 |
| 28-177-5 |
2-Propenoic acid, 2-methyl-, 2,2,3,3-tetrafluoropropyl ester
|
45102-52-1 |
7 | 119.710 |
| 28-221-5 |
Methyl 5-«beta»-cholan-12-«alpha»-ol-3-one-24-oate
|
|
7 | 334.550 |
| 28-252-1 |
Phenol, o-(5-phenyl-1,3,4-oxadiazol-2-yl)-
|
|
7 | 172.840 |
| 28-624-8 |
2,6,10-Cycloundecatrien-1-one, 2,6,9,9-tetramethyl-, (E,E,E)-
|
471-05-6 |
7 | 200.020 |
| 28-833-6 |
2-dehydro-O -demethylangolensin [ 1 -(2',4"-dihydroxyphenyl)-2-(4"-hydroxyphenyl)-prop-2-en- 1-one]
|
|
7 | 189.570 |
| 28-968-7 |
1-bromo-3,4,6,9-tetrachloro-dibenzo-p-dioxin
|
|
7 | 199.760 |
| 29-099-1 |
1H-Cycloprop[e]azulene, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a«alpha»,4«beta»,4a«beta»,7«beta»,7a«beta»,7b«alpha»)]-
|
28580-43-0 |
7 | 189.630 |
| 29-239-5 |
2-Ethoxy-4,4,5,5-tetramethyl-1,3-dioxolane
|
|
7 | 144.420 |
| 29-668-9 |
1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-non-deriv-17-HFB
|
|
7 | 290.200 |
| 29-794-9 |
3-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester
|
|
7 | 240.570 |
| 29-816-4 |
3-(3-Carboxy-propyl)-oxirane-2-carboxylic acid methyl ester
|
|
7 | 133.470 |
| 30-128-6 |
Pentafluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester
|
|
7 | 186.630 |
| 30-208-7 |
17-«beta»-Hydroxy-7-«alpha»,17-«alpha»-dimethyl-5-«beta»-androstan-3-one
|
|
7 | 270.750 |
| 30-217-7 |
1,2,3,4-Tetrahydro-1,6-dimethyl-4-(1-methylethyl) naphthalene
|
|
7 | 187.590 |
| 30-364-4 |
Succinic acid, 2-isopropoxyphenyl 2,2,3,3,4,4,4-heptafluorobutyl ester
|
|
7 | 259.770 |
| 30-406-7 |
2,6,10,14-Tetramethyl-9-(3-methyl-pent-4-enylidene)-pentadeca-2,6(cis),13-triene
|
|
7 | 341.610 |
| 30-513-8 |
Bicyclo[3.1.0]hexan-2-one, 5-(1-methylethyl)-
|
513-20-2 |
7 | 117.520 |
| 30-574-1 |
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, trans-
|
16721-39-4 |
7 | 142.470 |
| 30-584-0 |
2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)-
|
79-50-5 |
7 | 97.850 |
| 30-607-4 |
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-
|
3310-97-2 |
7 | 273.010 |
| 30-658-8 |
17-«alpha»-Methyl-5-«beta»-androstan-3-«beta»,17-«beta»-diol
|
|
7 | 260.960 |
| 30-838-8 |
2,5-Di(trifluoromethyl)benzoic acid, 4-chloro-2-methylphenyl ester
|
|
7 | 219.080 |
| 30-871-1 |
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylpropyl)-
|
1142-70-7 |
7 | 192.860 |
| 30-931-4 |
Succinic acid, 2-methylphenyl 2,2,3,3,4,4,4-heptafluorobutyl ester
|
|
7 | 225.720 |
| 30-966-6 |
1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-
|
546-28-1 |
7 | 185.330 |
| 30-968-4 |
Avenaciolide, 1-dihydro-6-[2-(4-chlorophenyl)ethyl]-4-demethylene
|
|
7 | 200.620 |
| 31-026-8 |
Naphthalene, decahydro-1,6-bis(methylene)-4-(1-methylethyl)-, (4«alpha»,4a«alpha»,8a«alpha»)-
|
30021-46-6 |
7 | 191.890 |
| 31-106-9 |
Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»)-
|
2616-71-9 |
7 | 398.350 |
| 31-268-0 |
17-«alpha»-Methyl-5-«beta»-androstan-3-«alpha»,17-«beta»-diol
|
|
7 | 260.960 |
| 31-283-3 |
2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)-
|
488-10-8 |
7 | 147.960 |
| 31-312-0 |
Acetamide, N-[2,4-dimethyl-5-[[(trifluoromethyl)sulfonyl]amino]phenyl]-
|
53780-34-0 |
7 | 197.020 |
| 31-325-6 |
2,6-Pyridinedicarboxylic acid, 2-chloro-6-fluorophenyl tridecyl ester
|
|
7 | 368.550 |
| 31-404-8 |
4-Ethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester
|
|
7 | 249.350 |
| 31-718-0 |
3-Methylbut-2-enoic acid, 2,2,2-trichloroethyl ester
|
|
7 | 149.350 |
| 31-848-6 |
4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-
|
28564-83-2 |
7 | 99.420 |
| 32-033-9 |
3,4,6-Tri-O-Acetyl-1,5-Anhydro-2-O-methyl-D-galactitol
|
|
7 | 217.230 |
| 32-049-2 |
4-Cyclohexene-1,2-dicarboxylic acid, 4-methyl-, dimethyl ester
|
86905-77-3 |
7 | 165.570 |
| 32-119-4 |
17-«beta»-Hydroxy-17-«alpha»-methyl-5-«beta»-androst-1-en-3-one
|
|
7 | 252.360 |
| 32-131-0 |
2,6(E)-Heptadecadiene, 2,6,12,16-tetramethyl-11-(3-methyl-4-pentenylidene)
|
|
7 | 374.090 |
| 32-255-3 |
2,6-Pyridinedicarboxylic acid, heptadecyl 2,4,4-trimethylpentyl ester
|
|
7 | 462.840 |
| 32-311-0 |
(1R,5R)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hex-2-ene
|
58319-06-5 |
7 | 191.890 |
| 32-334-5 |
Bicyclo[3.1.1]hept-2-en-4-ol, 2,6,6-trimethyl-, acetate
|
|
7 | 161.360 |
| 32-355-2 |
Benzene, 1,1',1'',1''',1'''',1'''''-(1,2-ethanediylidyne)hexakis-
|
17854-07-8 |
7 | 403.720 |
| 32-410-0 |
2,6,10,14-Tetramethyl-9-(3-methyl-pent-4-enylidene)-trans-pentadeca-2,6-diene
|
|
7 | 345.910 |
| 32-414-6 |
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-
|
1125-12-8 |
7 | 131.610 |
| 32-475-9 |
3,8-Methanocyclobuta[b]naphthalene,2a,3,8,8a-tetrahydro-((2a«alpha»,3«beta»,8«beta»,8a«alpha»)-
|
54483-73-7 |
7 | 133.390 |
| 32-489-4 |
(1«alpha»,2«alpha»,3«beta»,6«beta»)-1,2,3,6-tetrahydro-3,6-methanophthalic anhydride
|
2746-19-2 |
7 | 109.800 |
| 32-541-5 |
4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-, (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-
|
|
7 | 113.910 |
| 32-572-1 |
2,6-Pyridinedicarboxylic acid, 2-chloro-6-fluorophenyl dodecyl ester
|
|
7 | 354.460 |
| 32-575-8 |
17«alpha»,20«beta»,21-Trihydroxypregn-4-en-3-one, acetonide
|
|
7 | 309.600 |
| 32-778-3 |
exo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-one
|
|
7 | 116.450 |
| 32-945-7 |
Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)-
|
16728-99-7 |
7 | 191.890 |
| 32-980-8 |
2,6-Pyridinedicarboxylic acid, heptyl 2-(2-methoxyethyl)heptyl ester
|
|
7 | 355.990 |
| 32-982-6 |
2,6,10,14-Tetramethyl-9-(3-methyl-pent-4-enylidene)-trans-pentadeca-2,6,13-triene
|
|
7 | 341.610 |
| 33-127-4 |
2,6,10,14-Tetramethyl-7-(3-methyl-pent-4-enylidene)-trans-pentadeca-2,9-diene
|
|
7 | 345.910 |
| 33-274-1 |
[2.2.2.2.2.2](1,2,3,4,5,6)Cyclophane
|
|
7 | 247.200 |
| 33-565-8 |
o-Toluic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester
|
|
7 | 235.260 |
| 33-630-5 |
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester
|
|
7 | 133.180 |
| 33-886-2 |
2,6-Pyridinedicarboxylic acid, 1-methoxydec-4-yl octyl ester
|
|
7 | 384.170 |
| 33-943-8 |
Methyl 5-«beta»-cholan-3-«alpha»-ol-12-one-24-oate
|
|
7 | 334.550 |
| 34-249-8 |
2,6-Pyridinedicarboxylic acid, octyl 2,4,4-trimethylpentyl ester
|
|
7 | 336.030 |
| 34-408-1 |
17-«beta»-Methyl-5-«beta»-androstan-3-«beta»,17-«alpha»-diol
|
|
7 | 260.960 |
| 34-412-6 |
o,o-Diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate
|
|
7 | 215.030 |
| 34-418-0 |
2,6-Pyridinedicarboxylic acid, dodecyl 2,4,4-trimethylpentyl ester
|
|
7 | 392.390 |
| 34-508-0 |
Acetamide, 2,2-diphenyl-2-(2-(N-methyl-N-isopropylamino)ethyl (decomposition product of Isopropamide)
|
|
7 | 266.670 |
| 34-551-2 |
24-Ethyl-5-«alpha»-cholest-22-en-3-«beta»-ol
|
|
7 | 377.600 |
| 34-707-9 |
Dibenzo-p-dioxin, 1,2,3,4,6,7-hexachloro
|
|
7 | 206.740 |
| 35-047-1 |
3«alpha»,7«beta»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester
|
|
7 | 433.970 |
| 35-477-4 |
Benzene, (1,2-dichloro-1,2,2-trifluoroethyl)-3,5-bis-(trifluoromethyl)
|
|
7 | 168.410 |
| 35-550-2 |
endo-Tricyclo[6,2,1,0(2,6)]dec-3-en-8-one
|
|
7 | 116.450 |
| 35-787-0 |
2,6-Pyridinedicarboxylic acid, 2-chloro-6-fluorophenyl hexyl ester
|
|
7 | 269.920 |
| 35-841-9 |
tert-Butyl N-(1-hydroxy-2,2,2-trifluoroethyl)carbamate
|
17049-74-0 |
7 | 138.090 |
| 35-889-7 |
3-(2,4,5-Trichlorophenoxy)-1,2-propanediol bis-(2,2-dichloropropionate)
|
101096-60-0 |
7 | 304.880 |
| 35-983-2 |
3«alpha»,21-dihydroxy-5«beta»-pregnane-11,20-dione
|
566-03-0 |
7 | 278.190 |
| 36-103-7 |
9(10H)-acridinone, 1,2,3,4-tetramethoxy-10-methyl-
|
|
7 | 241.130 |
| 36-129-9 |
2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl nonyl ester
|
|
7 | 336.030 |
| 36-480-9 |
3«alpha»,7«alpha»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester
|
|
7 | 433.970 |
| 36-555-6 |
Acetic acid, trifluoro-, 1,2-dimethylbutyl ester, (R*,S*)-(+/-)-
|
|
7 | 136.330 |
| 36-952-5 |
2,6-Difluoro-3-methylbenzamide, N-(3-chloro-4-fluorophenyl)-
|
|
7 | 189.700 |
| 36-955-2 |
Ethanone, 1-(3,4-dihydro-6-methyl-2H-pyran-2-yl)-
|
28450-02-4 |
7 | 115.860 |
| 36-980-4 |
2,6,10,14-Tetramethyl-9-(3-methyl-pent-4-enyl)-pentadeca-2,6,10-triene
|
|
7 | 345.910 |
| 37-031-6 |
11,12,13-tri-nor-cis-Eudesm-5-en-7-one
|
|
7 | 155.490 |
| 37-123-4 |
trans-(2,3,3a,7a-Tetrahydro-1H-indene-4-carbaldehyde
|
|
7 | 123.010 |
| 37-236-9 |
phenylacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
|
|
7 | 249.350 |
| 37-258-5 |
Exo-2-methyl-7-oxabi-cyclo[2.2.1]heptane
|
16325-23-8 |
7 | 93.640 |
| 37-327-8 |
Z-3-Chloro-2-methyl-prop-2-en-1-ol
|
|
7 | 81.030 |
| 37-432-1 |
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(2-propenyl)-
|
|
7 | 175.360 |
| 37-483-5 |
Benzoic acid, 2,5-dimethyl-, 2-(2-hydroxy-2-methylpropyl)-2-methylhydrazide
|
21629-71-0 |
7 | 211.760 |
| 37-673-4 |
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
|
5413-60-5 |
7 | 150.500 |
| 37-779-7 |
2,6-Pyridinedicarboxylic acid, 3-(2-methoxyethyl)heptyl octyl ester
|
|
7 | 370.080 |
| 37-824-6 |
Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-
|
19407-28-4 |
7 | 247.180 |
| 37-908-3 |
3-Methylbut-2-enoic acid, 4-methoxy-2-methylbutyl ester
|
|
7 | 174.860 |
| 37-986-7 |
3,4,6-Tri-O-acetyl-1,5-Anhydro-2-O-methyl-D-mannitol
|
|
7 | 217.230 |
| 38-051-3 |
2-(4-Methylcyclohex-3-enyl)propan-2-yl 2,3,4,5,6-pentafluorobenzoate
|
|
7 | 227.760 |
| 38-055-9 |
Butanamide, N-(4-fluorophenyl)-2,2,3,3,4,4,4-heptafluoro-
|
|
7 | 153.710 |
| 38-203-4 |
1H-Indene, octahydro-2,2,4,4,7,7-hexamethyl-, trans-
|
54832-83-6 |
7 | 200.490 |
|
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