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190379-82-9 | Benzoic acid, 3-[(2-carboxyphenyl)amino]-2-methyl-
CAS No: 190379-82-9 Catalog No: AG002EI0 MDL No:
Product Description
Catalog Number:
AG002EI0
Chemical Name:
Benzoic acid, 3-[(2-carboxyphenyl)amino]-2-methyl-
CAS Number:
190379-82-9
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
IUPAC Name:
3-(2-carboxyanilino)-2-methylbenzoic acid
InChI:
InChI=1S/C15H13NO4/c1-9-10(14(17)18)6-4-8-12(9)16-13-7-3-2-5-11(13)15(19)20/h2-8,16H,1H3,(H,17,18)(H,19,20)
InChI Key:
OOQQWHSTKBWQPB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Nc1cccc(c1C)C(=O)O
UNII:
LLA90H5KPK
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.272g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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