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953885-10-4 | 4-methyl-3-[2-(pyridin-4-yl)acetamido]benzoic acid
CAS No: 953885-10-4 Catalog No: AG01AA52 MDL No:MFCD09731137
Product Description
Catalog Number:
AG01AA52
Chemical Name:
4-methyl-3-[2-(pyridin-4-yl)acetamido]benzoic acid
CAS Number:
953885-10-4
Molecular Formula:
C15H14N2O3
Molecular Weight:
270.2833
MDL Number:
MFCD09731137
IUPAC Name:
4-methyl-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid
InChI:
InChI=1S/C15H14N2O3/c1-10-2-3-12(15(19)20)9-13(10)17-14(18)8-11-4-6-16-7-5-11/h2-7,9H,8H2,1H3,(H,17,18)(H,19,20)
InChI Key:
NLQIVIKNGXDZMP-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(ccc1C)C(=O)O)Cc1ccncc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.288g/mol
Monoisotopic Mass:
270.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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