CAS 83532-37-0 | 3-(PENTADEC-10-ENYL)CATECHOL | CAS Number 83532-37-0

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83532-37-0 | 3-(PENTADEC-10-ENYL)CATECHOL

CAS No: 83532-37-0 Catalog No: AG004ZNG MDL No:

Product Description

Catalog Number:

AG004ZNG

Chemical Name:

3-(PENTADEC-10-ENYL)CATECHOL

CAS Number:

83532-37-0

Molecular Formula:

C21H34O2

Molecular Weight:

318.4935

IUPAC Name:

3-[(Z)-pentadec-10-enyl]benzene-1,2-diol

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/h5-6,15,17-18,22-23H,2-4,7-14,16H2,1H3/b6-5-

InChI Key:

WXZPKABXYFJVLD-WAYWQWQTSA-N

SMILES:

CCCCC=CCCCCCCCCCc1cccc(c1O)O

Properties

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

318.256g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.501g/mol

Monoisotopic Mass:

318.256g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.1

Literature

Title	Journal
Effect of litreol on the viability of human cancer cells.	Chemico-biological interactions 20090515
CD8+ T cells are the effectors of the contact dermatitis induced by urushiol in mice and are regulated by CD4+ T cells.	International archives of allergy and immunology 19981101