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126798-27-4 | 4-Pyridinecarboxylic acid, 1,2-dihydro-3-methyl-2-oxo-
CAS No: 126798-27-4 Catalog No: AG000T8B MDL No:
Product Description
Catalog Number:
AG000T8B
Chemical Name:
4-Pyridinecarboxylic acid, 1,2-dihydro-3-methyl-2-oxo-
CAS Number:
126798-27-4
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
IUPAC Name:
3-methyl-2-oxo-1H-pyridine-4-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c1-4-5(7(10)11)2-3-8-6(4)9/h2-3H,1H3,(H,8,9)(H,10,11)
InChI Key:
BLZQLOJKKDNYHL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc[nH]c(=O)c1C
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:
-0.2
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