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15795-18-3 | 2-Propenamide, 2-cyano-3-phenyl-, (2E)-
CAS No: 15795-18-3 Catalog No: AG001PUT MDL No:MFCD00096781
Product Description
Catalog Number:
AG001PUT
Chemical Name:
2-Propenamide, 2-cyano-3-phenyl-, (2E)-
CAS Number:
15795-18-3
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD00096781
IUPAC Name:
2-cyano-3-phenylprop-2-enamide
InChI:
InChI=1S/C10H8N2O/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H2,12,13)
InChI Key:
SKGACPGKMWWAIG-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccccc1)/C(=O)N
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacological screening for muscle relaxant, anticonvulsant, and sedative activities of certain organic compounds produced by Michael addition. | Archives of pharmacal research 20041201 |
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