CAS 1002101-19-0 | Benzeneacetic acid, 3-pentyl- | CAS Number 1002101-19-0

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1002101-19-0 | Benzeneacetic acid, 3-pentyl-

CAS No: 1002101-19-0 Catalog No: AG00019D MDL No:MFCD24480577

Product Description

Catalog Number:

AG00019D

Chemical Name:

Benzeneacetic acid, 3-pentyl-

CAS Number:

1002101-19-0

Molecular Formula:

C13H18O2

Molecular Weight:

206.2808

MDL Number:

MFCD24480577

IUPAC Name:

2-(3-pentylphenyl)acetic acid

InChI:

InChI=1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)

InChI Key:

PEGQOIGYZLJMIB-UHFFFAOYSA-N

SMILES:

CCCCCc1cccc(c1)CC(=O)O

UNII:

879OVM0Y1S

Properties

Complexity:

189

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.285g/mol

Monoisotopic Mass:

206.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Fatty acid receptor modulator PBI-4050 inhibits kidney fibrosis and improves glycemic control.	JCI insight 20180517
A Newly Discovered Antifibrotic Pathway Regulated by Two Fatty Acid Receptors: GPR40 and GPR84.	The American journal of pathology 20180501