Cannabinodiol-d9

CAT: 0926-PBA62481-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-PBA62481-02Size:10 mg

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CAS Number

39624-81-2

Smiles

CCCCCC1=CC (=C (C (=C1) O) C2=C (C=CC (=C2) C) C (=C) C) O

Molecular Formula

C21H26O2

Molecular Weight

310.4 g/mol

Controlled

Yes

Chemical Information

Cannabinodiol

CAS Number	39624-81-2
PubChem CID	11551346
IUPAC Name	2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-pentylbenzene-1,3-diol
Molecular Formula	C21H26O2
Molecular Weight	310.4
XLogP	7
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	366

SMILES

CCCCCC1=CC(=C(C(=C1)O)C2=C(C=CC(=C2)C)C(=C)C)O

InChI

InChI=1S/C21H26O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h9-13,22-23H,2,5-8H2,1,3-4H3

InChIKey

TWKHUZXSTKISQC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39624-81-2

CID: 11551346

Formula: C21H26O2

MW: 310.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.4
XLogP3	7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	310.193280068
Monoisotopic Mass	310.193280068
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	366
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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