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Urushiol (15:1)

CAT: 1299-RG-A261275-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261275-01Size:10 mg
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CAS Number
35237-02-6
Synonyms
(Z) -3- (pentadec-8-en-1-yl) benzene-1,2-diol
Molecular Formula
C21H34O2
Molecular Weight
318.5
Product Name Synonym
(Z) -3- (pentadec-8-en-1-yl) benzene-1,2-diol

Chemical Information

Urushiol II

urushiol II has been reported in Ginkgo biloba with data available.

CAS Number35237-02-6
PubChem CID12444627
IUPAC Name3-[(Z)-pentadec-8-enyl]benzene-1,2-diol
Molecular FormulaC21H34O2
Molecular Weight318.5
XLogP8.1
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count23
Formal Charge0
Complexity288
SMILES
CCCCCC/C=C\CCCCCCCC1=C(C(=CC=C1)O)O
InChI
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h7-8,15,17-18,22-23H,2-6,9-14,16H2,1H3/b8-7-
InChIKey
GWOCLAPCXDOJRL-FPLPWBNLSA-N
Chemical Structure
2D Structure
2D structure of Urushiol II
CAS: 35237-02-6
CID: 12444627
Formula: C21H34O2
MW: 318.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.5
XLogP38.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass318.255880323
Monoisotopic Mass318.255880323
Topological Polar Surface Area40.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity288
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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