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139326-07-1 | Butanamide, 2-(hydroxyimino)-N-(3-methylphenyl)-3-oxo-
CAS No: 139326-07-1 Catalog No: AG001AQU MDL No:
Product Description
Catalog Number:
AG001AQU
Chemical Name:
Butanamide, 2-(hydroxyimino)-N-(3-methylphenyl)-3-oxo-
CAS Number:
139326-07-1
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
(E)-3-hydroxy-N-(3-methylphenyl)-2-nitrosobut-2-enamide
InChI:
InChI=1S/C11H12N2O3/c1-7-4-3-5-9(6-7)12-11(15)10(13-16)8(2)14/h3-6,14H,1-2H3,(H,12,15)/b10-8+
InChI Key:
CPPVVSOFDFFUEG-CSKARUKUSA-N
SMILES:
ON=C(C(=O)Nc1cccc(c1)C)C(=O)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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