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Cannabidiolic acid controlled substance

CAT: 1299-RM-C010100-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C010100-01Size:10 mg
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CAS Number
1244-58-2
Synonyms
(1'R,2'R) -2,6-dihydroxy-5'-methyl-4-pentyl-2'- (prop-1-en-2-yl) -1',2',3',4'-tetrahydro-[1,1'-biphenyl]-3-carboxylic acid
Molecular Formula
C22H30O4
Molecular Weight
358.47
Target Alternative Name
Cannabidiolic acid
Product Name Synonym
(1'R,2'R) -2,6-dihydroxy-5'-methyl-4-pentyl-2'- (prop-1-en-2-yl) -1',2',3',4'-tetrahydro-[1,1'-biphenyl]-3-carboxylic acid

Chemical Information

Cannabidiolic acid

Cannabidiolic acid is a dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a 3-p-mentha-1,8-dien-3-yl (limonene) group. It is a dihydroxybenzoic acid, a polyketide, a member of resorcinols and a phytocannabinoid. It is functionally related to an olivetolic acid. It is a conjugate acid of a cannabidiolate.

CAS Number1244-58-2
PubChem CID160570
IUPAC Name2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid
Molecular FormulaC22H30O4
Molecular Weight358.5
XLogP6.6
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity538
SMILES
CCCCCC1=CC(=C(C(=C1C(=O)O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
InChI
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
Chemical Structure
2D Structure
2D structure of Cannabidiolic acid
CAS: 1244-58-2
CID: 160570
Formula: C22H30O4
MW: 358.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.5
XLogP36.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass358.21440943
Monoisotopic Mass358.21440943
Topological Polar Surface Area77.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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