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86964-95-6 | 4-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-1-methyl-2-oxo-
CAS No: 86964-95-6 Catalog No: AG004HLJ MDL No:MFCD20647188
Product Description
Catalog Number:
AG004HLJ
Chemical Name:
4-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-1-methyl-2-oxo-
CAS Number:
86964-95-6
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD20647188
IUPAC Name:
2-hydroxy-1-methyl-6-oxopyridine-4-carboxylic acid
InChI:
InChI=1S/C7H7NO4/c1-8-5(9)2-4(7(11)12)3-6(8)10/h2-3,9H,1H3,(H,11,12)
InChI Key:
MLKFZAMYCJWGSN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(O)n(c(=O)c1)C
Properties
Complexity:
303
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:
2
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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