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117449-75-9 | 3-Pyridinecarboxylic acid, 5-chloro-1,2-dihydro-6-methyl-2-oxo-
CAS No: 117449-75-9 Catalog No: AG000EC0 MDL No:MFCD26383166
Product Description
Catalog Number:
AG000EC0
Chemical Name:
3-Pyridinecarboxylic acid, 5-chloro-1,2-dihydro-6-methyl-2-oxo-
CAS Number:
117449-75-9
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD26383166
IUPAC Name:
5-chloro-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H6ClNO3/c1-3-5(8)2-4(7(11)12)6(10)9-3/h2H,1H3,(H,9,10)(H,11,12)
InChI Key:
HHWSFTFWHAQORS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Cl)c([nH]c1=O)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.579g/mol
Monoisotopic Mass:
187.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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