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131058-39-4 | Benzoic acid, 2-[[2-[(4-methylphenyl)amino]acetyl]amino]-
CAS No: 131058-39-4 Catalog No: AG000VGN MDL No:
Product Description
Catalog Number:
AG000VGN
Chemical Name:
Benzoic acid, 2-[[2-[(4-methylphenyl)amino]acetyl]amino]-
CAS Number:
131058-39-4
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
2-[[2-(4-methylanilino)acetyl]amino]benzoic acid
InChI:
InChI=1S/C16H16N2O3/c1-11-6-8-12(9-7-11)17-10-15(19)18-14-5-3-2-4-13(14)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChI Key:
UUHURYUUEJPHIW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1C(=O)O)CNc1ccc(cc1)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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