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89567-71-5 | 2-Butenamide, 2-cyano-3-(dimethylamino)-N-phenyl-, (Z)-
CAS No: 89567-71-5 Catalog No: AG003Y5J MDL No:
Product Description
Catalog Number:
AG003Y5J
Chemical Name:
2-Butenamide, 2-cyano-3-(dimethylamino)-N-phenyl-, (Z)-
CAS Number:
89567-71-5
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
2-cyano-3-(dimethylamino)-N-phenylbut-2-enamide
InChI:
InChI=1S/C13H15N3O/c1-10(16(2)3)12(9-14)13(17)15-11-7-5-4-6-8-11/h4-8H,1-3H3,(H,15,17)
InChI Key:
DTHOBLGKECTFGZ-UHFFFAOYSA-N
SMILES:
CN(/C(=C(\C(=O)Nc1ccccc1)/C#N)/C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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