| CAS Number | 134046-76-7 |
| Catalog Number | AG019SW6 |
| Chemical Name | N-(3-cyanophenyl)prop-2-enamide |
| IUPAC Name | N-(3-cyanophenyl)prop-2-enamide |
| InChI | InChI=1S/C10H8N2O/c1-2-10(13)12-9-5-3-4-8(6-9)7-11/h2-6H,1H2,(H,12,13) |
| InChI Key | HEYMCPCNRNNCPM-UHFFFAOYSA-N |
| MDL Number | MFCD12091091 |
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.1833 |
| SMILES | C=CC(NC1=CC(C#N)=CC=C1)=O |
| Synonyms | N-(3-cyanophenyl)prop-2-enamide,
134046-76-7,
N-(3-Cyanophenyl)acrylamide,
SCHEMBL9865267,
CHEMBL3352937,
ZINC36334112,
AKOS009810282,
MCULE-4390885737,
NE47626,
Z1270446330,
|
| Complexity | 251 |
| 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 | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number