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124221-71-2 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-amino-
CAS No: 124221-71-2 Catalog No: AG000LP7 MDL No:MFCD03839954
Product Description
Catalog Number:
AG000LP7
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-amino-
CAS Number:
124221-71-2
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD03839954
IUPAC Name:
3-(3-aminophenyl)benzoic acid
InChI:
InChI=1S/C13H11NO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,14H2,(H,15,16)
InChI Key:
RQKFSJNOPKCEJI-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approach. | Journal of medicinal chemistry 20050407 |
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