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100872-65-9 | 3-Pyridinecarboxylic acid, 2-[[(phenylmethyl)amino]carbonyl]-
CAS No: 100872-65-9 Catalog No: AG00032I MDL No:
Product Description
Catalog Number:
AG00032I
Chemical Name:
3-Pyridinecarboxylic acid, 2-[[(phenylmethyl)amino]carbonyl]-
CAS Number:
100872-65-9
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
IUPAC Name:
2-(benzylcarbamoyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H12N2O3/c17-13(16-9-10-5-2-1-3-6-10)12-11(14(18)19)7-4-8-15-12/h1-8H,9H2,(H,16,17)(H,18,19)
InChI Key:
QHZGYXNNKDMSTA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1C(=O)NCc1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/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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