1244-58-2

Name cannabidiolic acid
CAS 1244-58-2
Molecular Formula C22H30O4
Molecular Weight 358.47
MOL File 1244-58-2.mol
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Chemical Properties

Melting point  45-48 °C
Boiling point  530.8±50.0 °C(Predicted)
density  1.123±0.06 g/cm3(Predicted)
Fp  2℃
storage temp.  −20°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  neat
pka 3.41±0.43(Predicted)
InChI 1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1
InChIKey WVOLTBSCXRRQFR-DLBZAZTESA-N
SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1C(O)=O
LogP 7.870 (est)

Safety Data

RIDADR  UN 1648 3 / PGII
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Repr. 2

Hazard Information

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