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Home > Pyridines > 1179647-14-3
1179647-14-3 | 3-{[(2-methoxypyridin-3-yl)formamido]methyl}benzoic acid
CAS No: 1179647-14-3 Catalog No: AG01AC5H MDL No:MFCD26407884
Product Description
Catalog Number:
AG01AC5H
Chemical Name:
3-{[(2-methoxypyridin-3-yl)formamido]methyl}benzoic acid
CAS Number:
1179647-14-3
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
MDL Number:
MFCD26407884
IUPAC Name:
3-[[(2-methoxypyridine-3-carbonyl)amino]methyl]benzoic acid
InChI:
InChI=1S/C15H14N2O4/c1-21-14-12(6-3-7-16-14)13(18)17-9-10-4-2-5-11(8-10)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChI Key:
QWOWOVOQRXMTRS-UHFFFAOYSA-N
SMILES:
COc1ncccc1C(=O)NCc1cccc(c1)C(=O)O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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