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Home > Nitro Compounds > 881587-44-6
881587-44-6 | 1,4,6-trimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 881587-44-6 Catalog No: AG00JH5J MDL No:MFCD06619231
Product Description
Catalog Number:
AG00JH5J
Chemical Name:
1,4,6-trimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
881587-44-6
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
MDL Number:
MFCD06619231
IUPAC Name:
1,4,6-trimethyl-5-nitro-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C9H9N3O3/c1-5-7(4-10)9(13)11(3)6(2)8(5)12(14)15/h1-3H3
InChI Key:
ZCIBBWZPGAMQBI-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)n(C)c(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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