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116448-19-2 | 3-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CAS No: 116448-19-2 Catalog No: AG000CIG MDL No:
Product Description
Catalog Number:
AG000CIG
Chemical Name:
3-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CAS Number:
116448-19-2
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
IUPAC Name:
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H7NO4/c1-3-2-4(9)8-6(10)5(3)7(11)12/h2H,1H3,(H,11,12)(H2,8,9,10)
InChI Key:
ZZNZFBULEPJXCW-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)cc([nH]c1=O)O
NSC Number:
341968
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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