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356081-52-2

356081-52-2 | 3-(2-oxo-1,2-dihydroquinoline-4-amido)benzoic acid

CAS No: 356081-52-2 Catalog No: AG019O3B MDL No:MFCD06655404

Product Description

Catalog Number:
AG019O3B
Chemical Name:
3-(2-oxo-1,2-dihydroquinoline-4-amido)benzoic acid
CAS Number:
356081-52-2
Molecular Formula:
C17H12N2O4
Molecular Weight:
308.2882
MDL Number:
MFCD06655404
IUPAC Name:
3-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoic acid
InChI:
InChI=1S/C17H12N2O4/c20-15-9-13(12-6-1-2-7-14(12)19-15)16(21)18-11-5-3-4-10(8-11)17(22)23/h1-9H,(H,18,21)(H,19,20)(H,22,23)
InChI Key:
KNOMAJGTMGMTLM-UHFFFAOYSA-N
SMILES:
O=C(c1cc(=O)[nH]c2c1cccc2)Nc1cccc(c1)C(=O)O

Properties

Complexity:
543  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.08g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
308.293g/mol
Monoisotopic Mass:
308.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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