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Home > Nitro Compounds > 89550-48-1
89550-48-1 | Butanamide, N-(2,3-dimethylphenyl)-2-nitroso-3-oxo-
CAS No: 89550-48-1 Catalog No: AG003ZNJ MDL No:
Product Description
Catalog Number:
AG003ZNJ
Chemical Name:
Butanamide, N-(2,3-dimethylphenyl)-2-nitroso-3-oxo-
CAS Number:
89550-48-1
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
IUPAC Name:
N-(2,3-dimethylphenyl)-2-nitroso-3-oxobutanamide
InChI:
InChI=1S/C12H14N2O3/c1-7-5-4-6-10(8(7)2)13-12(16)11(14-17)9(3)15/h4-6,11H,1-3H3,(H,13,16)
InChI Key:
JLBVTGAZCRCEHS-UHFFFAOYSA-N
SMILES:
O=NC(C(=O)Nc1cccc(c1C)C)C(=O)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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