Home Carboxys 1-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid

1-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid

CAS No.:
10561-89-4
Catalog Number:
AG0092RT
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
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Product Description
Catalog Number:
AG0092RT
Chemical Name:
1-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid
CAS Number:
10561-89-4
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD12403597
IUPAC Name:
1-methyl-4-oxopyridine-3-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c1-8-3-2-6(9)5(4-8)7(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
NYPMLQVMDQQNIL-UHFFFAOYSA-N
SMILES:
Cn1ccc(=O)c(c1)C(=O)O
Properties
Complexity:
265  
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:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties