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1363382-77-7 | 3-Pyridinecarboxylic acid, 1,6-dihydro-5-hydroxy-6-oxo-, methyl ester
CAS No: 1363382-77-7 Catalog No: AG0011R1 MDL No:MFCD23105855
Product Description
Catalog Number:
AG0011R1
Chemical Name:
3-Pyridinecarboxylic acid, 1,6-dihydro-5-hydroxy-6-oxo-, methyl ester
CAS Number:
1363382-77-7
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD23105855
IUPAC Name:
methyl 5-hydroxy-6-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C7H7NO4/c1-12-7(11)4-2-5(9)6(10)8-3-4/h2-3,9H,1H3,(H,8,10)
InChI Key:
GKUFHKYBUJMWSL-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c(=O)c(c1)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:
-0.4
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