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89781-49-7 | 2-Butenamide, N,N-diethyl-4-oxo-4-phenyl-, (E)-
CAS No: 89781-49-7 Catalog No: AG004098 MDL No:
Product Description
Catalog Number:
AG004098
Chemical Name:
2-Butenamide, N,N-diethyl-4-oxo-4-phenyl-, (E)-
CAS Number:
89781-49-7
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
N,N-diethyl-4-oxo-4-phenylbut-2-enamide
InChI:
InChI=1S/C14H17NO2/c1-3-15(4-2)14(17)11-10-13(16)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChI Key:
CXSXQJABMBLACR-UHFFFAOYSA-N
SMILES:
CCN(C(=O)/C=C/C(=O)c1ccccc1)CC
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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