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89640-79-9 | 5-Amino-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CAS No: 89640-79-9 Catalog No: AG003W3B MDL No:MFCD21603642
Product Description
Catalog Number:
AG003W3B
Chemical Name:
5-Amino-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CAS Number:
89640-79-9
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD21603642
IUPAC Name:
5-amino-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C6H6N2O3/c7-3-1-4(6(10)11)5(9)8-2-3/h1-2H,7H2,(H,8,9)(H,10,11)
InChI Key:
QMJIMNGWYFBQKB-UHFFFAOYSA-N
SMILES:
Nc1c[nH]c(=O)c(c1)C(=O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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