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Cannabinol acetate

CAT: 0013-GTR19280480-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19280480-02Size:50 mg
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Description
Cannabinol acetate (Acetylcannabinol) is a plant-based cannabinoid analogue.
CAS Number
51895-51-3
Smiles
O=C (OC1=CC (=CC=2OC (C3=CC=C (C=C3C12) C) (C) C) CCCCC) C
Molecular Formula
C23H28O3
Molecular Weight
352.47
Notes
For research use only.

Chemical Information

Cannabinol Acetate
CAS Number51895-51-3
PubChem CID90473109
IUPAC Name(6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-yl) acetate
Molecular FormulaC23H28O3
Molecular Weight352.5
XLogP6.2
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity486
SMILES
CCCCCC1=CC2=C(C(=C1)OC(=O)C)C3=C(C=CC(=C3)C)C(O2)(C)C
InChI
InChI=1S/C23H28O3/c1-6-7-8-9-17-13-20(25-16(3)24)22-18-12-15(2)10-11-19(18)23(4,5)26-21(22)14-17/h10-14H,6-9H2,1-5H3
InChIKey
LCXOAMRAVSWHBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cannabinol Acetate
CAS: 51895-51-3
CID: 90473109
Formula: C23H28O3
MW: 352.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.5
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass352.20384475
Monoisotopic Mass352.20384475
Topological Polar Surface Area35.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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