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80188-12-1 | 3-Butenamide, 2-methyl-N-phenyl-
CAS No: 80188-12-1 Catalog No: AG0054DT MDL No:
Product Description
Catalog Number:
AG0054DT
Chemical Name:
3-Butenamide, 2-methyl-N-phenyl-
CAS Number:
80188-12-1
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
2-methyl-N-phenylbut-3-enamide
InChI:
InChI=1S/C11H13NO/c1-3-9(2)11(13)12-10-7-5-4-6-8-10/h3-9H,1H2,2H3,(H,12,13)
InChI Key:
WCHXCHUYHPVPQK-UHFFFAOYSA-N
SMILES:
C=CC(C(=O)Nc1ccccc1)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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