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13209-80-8 | 2-Butenamide, 3-methyl-N-phenyl-
CAS No: 13209-80-8 Catalog No: AG00106X MDL No:
Product Description
Catalog Number:
AG00106X
Chemical Name:
2-Butenamide, 3-methyl-N-phenyl-
CAS Number:
13209-80-8
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
3-methyl-N-phenylbut-2-enamide
InChI:
InChI=1S/C11H13NO/c1-9(2)8-11(13)12-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,13)
InChI Key:
RINIQJLZLHTWKN-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)C=C(C)C
Properties
Complexity:
198
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:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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