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Home > Nitro Compounds > 32896-90-5
32896-90-5 | 1-Methyl-5-nitropyridin-2(1H)-one
CAS No: 32896-90-5 Catalog No: AG003EIB MDL No:MFCD00955768
Product Description
Catalog Number:
AG003EIB
Chemical Name:
1-Methyl-5-nitropyridin-2(1H)-one
CAS Number:
32896-90-5
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD00955768
IUPAC Name:
1-methyl-5-nitropyridin-2-one
InChI:
InChI=1S/C6H6N2O3/c1-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3
InChI Key:
FZYSOPYUSSFGAO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(=O)n(c1)C
NSC Number:
165483
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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