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Home > Nitro Compounds > 909572-70-9
909572-70-9 | 1,6-diMethyl-5-nitropyridin-2(1H)-one
CAS No: 909572-70-9 Catalog No: AG00H4PZ MDL No:MFCD26404001
Product Description
Catalog Number:
AG00H4PZ
Chemical Name:
1,6-diMethyl-5-nitropyridin-2(1H)-one
CAS Number:
909572-70-9
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD26404001
IUPAC Name:
1,6-dimethyl-5-nitropyridin-2-one
InChI:
InChI=1S/C7H8N2O3/c1-5-6(9(11)12)3-4-7(10)8(5)2/h3-4H,1-2H3
InChI Key:
FAQUMHSTXDBJPQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(=O)n(c1C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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