CAS 119427-07-5 | 16-Heptadecynoic acid, 12-hydroxy- | CAS Number 119427-07-5

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119427-07-5 | 16-Heptadecynoic acid, 12-hydroxy-

CAS No: 119427-07-5 Catalog No: AG000IQP MDL No:

Product Description

Catalog Number:

AG000IQP

Chemical Name:

16-Heptadecynoic acid, 12-hydroxy-

CAS Number:

119427-07-5

Molecular Formula:

C17H30O3

Molecular Weight:

282.4183

IUPAC Name:

12-hydroxyheptadec-16-ynoic acid

InChI:

InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)

InChI Key:

HBFCVDJQUPEEIC-UHFFFAOYSA-N

SMILES:

C#CCCCC(CCCCCCCCCCC(=O)O)O

Properties

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.219g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.424g/mol

Monoisotopic Mass:

282.219g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7

Literature

Title	Journal
Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.	Current drug metabolism 20051001
Expressed CYP4A4 metabolism of prostaglandin E(1) and arachidonic acid.	Archives of biochemistry and biophysics 20010915