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115185-79-0 | 2-Pyridinecarboxylic acid, 1,6-dihydro-5-methyl-6-oxo-
CAS No: 115185-79-0 Catalog No: AG000GEB MDL No:MFCD13174826
Product Description
Catalog Number:
AG000GEB
Chemical Name:
2-Pyridinecarboxylic acid, 1,6-dihydro-5-methyl-6-oxo-
CAS Number:
115185-79-0
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD13174826
IUPAC Name:
5-methyl-6-oxo-1H-pyridine-2-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c1-4-2-3-5(7(10)11)8-6(4)9/h2-3H,1H3,(H,8,9)(H,10,11)
InChI Key:
NYYNYEHQYYKGFO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(=O)[nH]1)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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