Chemical Properties of cannabinolic acid, n-butyl-boronate

cannabinolic acid, n-butyl-boronate

InChI
InChI=1S/C26H33BO4/c1-6-8-10-11-18-16-21-23(19-15-17(3)12-13-20(19)26(4,5)29-21)24-22(18)25(28)31-27(30-24)14-9-7-2/h12-13,15-16H,6-11,14H2,1-5H3
InChI Key
YGYVMCBDFAOCKB-UHFFFAOYSA-N
Formula
C26H33BO4
SMILES
CCCCCc1cc2c(c3c1C(=O)OB(CCCC)O3)-c1cc(C)ccc1C(C)(C)O2
Molecular Weight1
420.35
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Physical Properties

Property Value Unit Source
ω 1.0422 Relay (1.0) Calculated Property
ΔfG° -308.57 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -770.46 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 125.43 kJ/mol Relay (1.0) Calculated Property
IE 7.95 eV Relay (1.0) Calculated Property
log10WS -8.00 Relay (1.0) Calculated Property
logPoct/wat 6.860 Crippen Calculated Property
Pc 519.97 kPa Relay (1.0-beta) Calculated Property
Inp [3036.00; 3036.00]   Show Hide
Inp 3036.00 NIST
Inp 3036.00 NIST
Tboil 749.85 K Relay (1.0) Calculated Property
Tc 1028.05 K Relay (1.0) Calculated Property
Tfus 383.58 K Relay (1.0) Calculated Property
Vc 1.310 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

propyl-cannabinolic acid, n-butyl-boronate. N-Desmethylmirtazapine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to cannabinolic acid, n-butyl-boronate.

Sources

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