Home Carboxys 4,6-Dihydroxy-5-nitropyridine-3-carboxylic acid ethyl ester

4,6-Dihydroxy-5-nitropyridine-3-carboxylic acid ethyl ester

CAS No.:
6317-97-1
Catalog Number:
AG00EG4R
Molecular Formula:
C8H8N2O6
Molecular Weight:
228.1589
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Product Description
Catalog Number:
AG00EG4R
Chemical Name:
4,6-Dihydroxy-5-nitropyridine-3-carboxylic acid ethyl ester
CAS Number:
6317-97-1
Molecular Formula:
C8H8N2O6
Molecular Weight:
228.1589
MDL Number:
MFCD01765414
IUPAC Name:
ethyl 4-hydroxy-5-nitro-6-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C8H8N2O6/c1-2-16-8(13)4-3-9-7(12)5(6(4)11)10(14)15/h3H,2H2,1H3,(H2,9,11,12)
InChI Key:
JBTWWCUXSHUDEJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)c(cnc1O)C(=O)OCC
NSC Number:
25750
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.038g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.16g/mol
Monoisotopic Mass:
228.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties