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1314406-42-2 | 4-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo-, methyl ester, hydrochloride (1:1)
CAS No: 1314406-42-2 Catalog No: AG000W7A MDL No:MFCD19442784
Product Description
Catalog Number:
AG000W7A
Chemical Name:
4-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo-, methyl ester, hydrochloride (1:1)
CAS Number:
1314406-42-2
Molecular Formula:
C7H8ClNO4
Molecular Weight:
205.5957
MDL Number:
MFCD19442784
IUPAC Name:
methyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate;hydrochloride
InChI:
InChI=1S/C7H7NO4.ClH/c1-12-7(11)4-2-5(9)8-6(10)3-4;/h2-3H,1H3,(H2,8,9,10);1H
InChI Key:
MKSGGMGKBZCKKR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)[nH]c(=O)c1.Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.014g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.594g/mol
Monoisotopic Mass:
205.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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