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856579-28-7 | Methyl 5-nitro-2-oxo-1,2-dihydropyridine-3-carboxylate
CAS No: 856579-28-7 Catalog No: AG004TGY MDL No:MFCD09971346
Product Description
Catalog Number:
AG004TGY
Chemical Name:
Methyl 5-nitro-2-oxo-1,2-dihydropyridine-3-carboxylate
CAS Number:
856579-28-7
Molecular Formula:
C7H6N2O5
Molecular Weight:
198.1329
MDL Number:
MFCD09971346
IUPAC Name:
methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C7H6N2O5/c1-14-7(11)5-2-4(9(12)13)3-8-6(5)10/h2-3H,1H3,(H,8,10)
InChI Key:
DLMMETCUQGSGOK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c[nH]c1=O)[N+](=O)[O-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.134g/mol
Monoisotopic Mass:
198.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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