Home Carboxys 2-Pyridinecarboxylic acid, 1,6-dihydro-3-methyl-6-oxo-

2-Pyridinecarboxylic acid, 1,6-dihydro-3-methyl-6-oxo-

CAS No.:
115185-81-4
Catalog Number:
AG000GEA
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
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Product Description
Catalog Number:
AG000GEA
Chemical Name:
2-Pyridinecarboxylic acid, 1,6-dihydro-3-methyl-6-oxo-
CAS Number:
115185-81-4
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
IUPAC Name:
3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c1-4-2-3-5(9)8-6(4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
InChI Key:
WDZFYBWSAROMOO-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c(=O)ccc1C
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:
-0.1  
Properties