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89459-31-4 | Benzoic acid, 2-[(2-acetylphenyl)amino]-
CAS No: 89459-31-4 Catalog No: AG0042JW MDL No:
Product Description
Catalog Number:
AG0042JW
Chemical Name:
Benzoic acid, 2-[(2-acetylphenyl)amino]-
CAS Number:
89459-31-4
Molecular Formula:
C15H13NO3
Molecular Weight:
255.2686
IUPAC Name:
2-(2-acetylanilino)benzoic acid
InChI:
InChI=1S/C15H13NO3/c1-10(17)11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)15(18)19/h2-9,16H,1H3,(H,18,19)
InChI Key:
LVXCGCMQNKXNQW-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccccc1Nc1ccccc1C(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.273g/mol
Monoisotopic Mass:
255.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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