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117208-71-6 | 4-Pyridinecarboxylic acid, 3-[(4-methoxyphenyl)amino]-
CAS No: 117208-71-6 Catalog No: AG000DXK MDL No:
Product Description
Catalog Number:
AG000DXK
Chemical Name:
4-Pyridinecarboxylic acid, 3-[(4-methoxyphenyl)amino]-
CAS Number:
117208-71-6
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
3-(4-methoxyanilino)pyridine-4-carboxylic acid
InChI:
InChI=1S/C13H12N2O3/c1-18-10-4-2-9(3-5-10)15-12-8-14-7-6-11(12)13(16)17/h2-8,15H,1H3,(H,16,17)
InChI Key:
LHWRUNXRTGJYMJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1cnccc1C(=O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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