| CAS Number | 1016832-46-4 |
| Catalog Number | AG019XLG |
| Chemical Name | 3-cyano-N-(prop-2-en-1-yl)benzamide |
| IUPAC Name | 3-cyano-N-prop-2-enylbenzamide |
| InChI | InChI=1S/C11H10N2O/c1-2-6-13-11(14)10-5-3-4-9(7-10)8-12/h2-5,7H,1,6H2,(H,13,14) |
| InChI Key | OFXAULPDTNEWIZ-UHFFFAOYSA-N |
| MDL Number | MFCD09940078 |
| Molecular Formula | C11H10N2O |
| Molecular Weight | 186.2099 |
| SMILES | C=CCNC(C1=CC(C#N)=CC=C1)=O |
| Synonyms | 3-cyano-N-(prop-2-en-1-yl)benzamide,
1016832-46-4,
AC1Q2AFC,
CTK5J4824,
ZINC19481983,
AKOS000183431,
MCULE-6518899429,
NE22261,
EN300-55321,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.214g/mol |
| Monoisotopic Mass | 186.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number