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1260883-63-3 | 2-Pyridinecarboxylic acid, 1,6-dihydro-5-hydroxy-6-oxo-, methyl ester
CAS No: 1260883-63-3 Catalog No: AG000RJD MDL No:MFCD09838989
Product Description
Catalog Number:
AG000RJD
Chemical Name:
2-Pyridinecarboxylic acid, 1,6-dihydro-5-hydroxy-6-oxo-, methyl ester
CAS Number:
1260883-63-3
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD09838989
IUPAC Name:
methyl 5-hydroxy-6-oxo-1H-pyridine-2-carboxylate
InChI:
InChI=1S/C7H7NO4/c1-12-7(11)4-2-3-5(9)6(10)8-4/h2-3,9H,1H3,(H,8,10)
InChI Key:
GXTJQHPJCIORNI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(=O)[nH]1)O
Properties
Complexity:
290
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:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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