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88091-11-6 | Butanamide, N-ethyl-3-oxo-2-(phenylmethylene)-
CAS No: 88091-11-6 Catalog No: AG004GWU MDL No:
Product Description
Catalog Number:
AG004GWU
Chemical Name:
Butanamide, N-ethyl-3-oxo-2-(phenylmethylene)-
CAS Number:
88091-11-6
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
2-benzylidene-N-ethyl-3-oxobutanamide
InChI:
InChI=1S/C13H15NO2/c1-3-14-13(16)12(10(2)15)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,14,16)
InChI Key:
UBFWRBLNEUUHGL-UHFFFAOYSA-N
SMILES:
CCNC(=O)C(=Cc1ccccc1)C(=O)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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