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Home Other Building Blocks Benzenebutanoic acid, a-(phenylmethyl)-

Benzenebutanoic acid, a-(phenylmethyl)-

CAS No.:
5666-05-7
Catalog Number:
AG01DTFA
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
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Product Description
Catalog Number:
AG01DTFA
Chemical Name:
Benzenebutanoic acid, a-(phenylmethyl)-
CAS Number:
5666-05-7
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
MDL Number:
MFCD18430032
IUPAC Name:
2-benzyl-4-phenylbutanoic acid
InChI:
InChI=1S/C17H18O2/c18-17(19)16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,18,19)
InChI Key:
YQADLVQOGPHNAK-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccccc1)CCc1ccccc1
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Design, synthesis and in vitro evaluation of a series of α-substituted phenylpropanoic acid PPARγ agonists to further investigate the stereochemistry-activity relationship. Bioorganic & medicinal chemistry 20121101
Properties