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Biphenyl-3-carboxylic acid

CAS No.:
716-76-7
Catalog Number:
AG0034IU
Molecular Formula:
C13H10O2
Molecular Weight:
198.2173
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$125
- +
100g
98%
In Stock USA
United States
$338
- +
Product Description
Catalog Number:
AG0034IU
Chemical Name:
Biphenyl-3-carboxylic acid
CAS Number:
716-76-7
Molecular Formula:
C13H10O2
Molecular Weight:
198.2173
MDL Number:
MFCD00045846
IUPAC Name:
3-phenylbenzoic acid
InChI:
InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
InChI Key:
XNLWJFYYOIRPIO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccccc1
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.068g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.221g/mol
Monoisotopic Mass:
198.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approach. Journal of medicinal chemistry 20050407
Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis. Journal of medicinal chemistry 20040115
Properties