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Home Other Building Blocks Benzeneacetic acid, 3-pentyl-

Benzeneacetic acid, 3-pentyl-

CAS No.:
1002101-19-0
Catalog Number:
AG00019D
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
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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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
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
Properties