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1618-52-6 | Benzoic acid, 2-[(carboxycarbonyl)(2,3-dimethylphenyl)amino]-
CAS No: 1618-52-6 Catalog No: AG001VX0 MDL No:MFCD22054848
Product Description
Catalog Number:
AG001VX0
Chemical Name:
Benzoic acid, 2-[(carboxycarbonyl)(2,3-dimethylphenyl)amino]-
CAS Number:
1618-52-6
Molecular Formula:
C17H15NO5
Molecular Weight:
313.3047
MDL Number:
MFCD22054848
IUPAC Name:
2-(2,3-dimethyl-N-oxaloanilino)benzoic acid
InChI:
InChI=1S/C17H15NO5/c1-10-6-5-9-13(11(10)2)18(15(19)17(22)23)14-8-4-3-7-12(14)16(20)21/h3-9H,1-2H3,(H,20,21)(H,22,23)
InChI Key:
LTLAECLFZXWEMD-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)N(c1cccc(c1C)C)c1ccccc1C(=O)O
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.309g/mol
Monoisotopic Mass:
313.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Discovery and structure-activity relationship of oxalylarylaminobenzoic acids as inhibitors of protein tyrosine phosphatase 1B. | Journal of medicinal chemistry 20030522 |
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