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192323-70-9 | [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-4'-methyl-
CAS No: 192323-70-9 Catalog No: AG002FTV MDL No:MFCD06409295
Product Description
Catalog Number:
AG002FTV
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4-amino-4'-methyl-
CAS Number:
192323-70-9
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
MDL Number:
MFCD06409295
IUPAC Name:
2-amino-5-(4-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H13NO2/c1-9-2-4-10(5-3-9)11-6-7-13(15)12(8-11)14(16)17/h2-8H,15H2,1H3,(H,16,17)
InChI Key:
SURZAQVAAPZGFF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccc(c(c1)C(=O)O)N
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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