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70026-89-0 | 4-Pyridinecarboxylicacid, 1,2-dihydro-6-methyl-3-nitro-2-oxo-, ethyl ester
CAS No: 70026-89-0 Catalog No: AG005GBW MDL No:
Product Description
Catalog Number:
AG005GBW
Chemical Name:
4-Pyridinecarboxylicacid, 1,2-dihydro-6-methyl-3-nitro-2-oxo-, ethyl ester
CAS Number:
70026-89-0
Molecular Formula:
C9H10N2O5
Molecular Weight:
226.1861
IUPAC Name:
ethyl 6-methyl-3-nitro-2-oxo-1H-pyridine-4-carboxylate
InChI:
InChI=1S/C9H10N2O5/c1-3-16-9(13)6-4-5(2)10-8(12)7(6)11(14)15/h4H,3H2,1-2H3,(H,10,12)
InChI Key:
DICRVETZCMISTM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)[nH]c(=O)c1[N+](=O)[O-]
NSC Number:
129595
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.188g/mol
Monoisotopic Mass:
226.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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