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89232-30-4 | 2-Butenamide, N-(phenylmethyl)-, (E)-
CAS No: 89232-30-4 Catalog No: AG0043AX MDL No:
Product Description
Catalog Number:
AG0043AX
Chemical Name:
2-Butenamide, N-(phenylmethyl)-, (E)-
CAS Number:
89232-30-4
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
N-benzylbut-2-enamide
InChI:
InChI=1S/C11H13NO/c1-2-6-11(13)12-9-10-7-4-3-5-8-10/h2-8H,9H2,1H3,(H,12,13)
InChI Key:
QLDAZEKDPMBLOR-UHFFFAOYSA-N
SMILES:
C/C=C/C(=O)NCc1ccccc1
Properties
Complexity:
181
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:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Rhodium(I)-catalyzed asymmetric 1,4-addition of arylboronic acids to alpha,beta-unsaturated amides. | The Journal of organic chemistry 20011228 |
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