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Home > Nitro Compounds > 139393-81-0
139393-81-0 | 2(1H)-Pyridinone, 5-ethyl-6-methyl-3-nitro-
CAS No: 139393-81-0 Catalog No: AG001AWZ MDL No:
Product Description
Catalog Number:
AG001AWZ
Chemical Name:
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-nitro-
CAS Number:
139393-81-0
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
5-ethyl-6-methyl-3-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C8H10N2O3/c1-3-6-4-7(10(12)13)8(11)9-5(6)2/h4H,3H2,1-2H3,(H,9,11)
InChI Key:
CKQWYXMOCLRKIL-UHFFFAOYSA-N
SMILES:
CCc1cc([N+](=O)[O-])c(=O)[nH]c1C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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