Chemical Properties of cannabinolic acid, methyl-boronate

cannabinolic acid, methyl-boronate

InChI
InChI=1S/C23H27BO4/c1-6-7-8-9-15-13-18-20(21-19(15)22(25)28-24(5)27-21)16-12-14(2)10-11-17(16)23(3,4)26-18/h10-13H,6-9H2,1-5H3
InChI Key
QHUUPXWHHHAQOR-UHFFFAOYSA-N
Formula
C23H27BO4
SMILES
CCCCCc1cc2c(c3c1C(=O)OB(C)O3)-c1cc(C)ccc1C(C)(C)O2
Molecular Weight1
378.27
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Physical Properties

Property Value Unit Source
ω 0.9336 Relay (1.0) Calculated Property
ΔfG° -328.49 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -721.89 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 119.54 kJ/mol Relay (1.0) Calculated Property
IE 8.04 eV Relay (1.0) Calculated Property
log10WS -7.18 Relay (1.0) Calculated Property
logPoct/wat 5.689 Crippen Calculated Property
Pc 777.11 kPa Relay (1.0-beta) Calculated Property
Inp 2768.00 NIST
Tboil 722.27 K Relay (1.0) Calculated Property
Tc 1007.00 K Relay (1.0) Calculated Property
Tfus 403.36 K Relay (1.0) Calculated Property
Vc 1.150 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

cannabinolic acid, n-butyl-boronate. propyl-cannabinolic acid, methyl-boronate. N-Desmethylmirtazapine. propyl-cannabinolic acid, n-butyl-boronate. 6-O,N-Diacetylnorcodeine. Buprenorphine. Dihydroergokryptine. Neopine. Ajmaline. [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»)-. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Hydromorphone, trimethylsilyl ether. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Methyldesorphine. TCN.

Find more compounds similar to cannabinolic acid, methyl-boronate.

Sources

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