Home Carboxys 5-[1-(hydroxyimino)ethyl]-6-oxo-1,6-dihydropyridine-3-carboxylic acid

5-[1-(hydroxyimino)ethyl]-6-oxo-1,6-dihydropyridine-3-carboxylic acid

CAS No.:
1114822-87-5
Catalog Number:
AG019WZ1
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
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Product Description
Catalog Number:
AG019WZ1
Chemical Name:
5-[1-(hydroxyimino)ethyl]-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CAS Number:
1114822-87-5
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD11505643
IUPAC Name:
5-(N-hydroxy-C-methylcarbonimidoyl)-6-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H8N2O4/c1-4(10-14)6-2-5(8(12)13)3-9-7(6)11/h2-3,14H,1H3,(H,9,11)(H,12,13)
InChI Key:
KFURRWDJWCFZDN-UHFFFAOYSA-N
SMILES:
ON=C(c1cc(c[nH]c1=O)C(=O)O)C
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
-0.4  
Properties