| CAS Number | 1017048-13-3 |
| Catalog Number | AG019W41 |
| Chemical Name | 3-cyano-N-(prop-2-yn-1-yl)benzamide |
| IUPAC Name | 3-cyano-N-prop-2-ynylbenzamide |
| InChI | InChI=1S/C11H8N2O/c1-2-6-13-11(14)10-5-3-4-9(7-10)8-12/h1,3-5,7H,6H2,(H,13,14) |
| InChI Key | YSJFRQSACYZLRX-UHFFFAOYSA-N |
| MDL Number | MFCD09944193 |
| Molecular Formula | C11H8N2O |
| Molecular Weight | 184.1940 |
| SMILES | O=C(C1=CC(C#N)=CC=C1)NCC#C |
| Synonyms | 3-cyano-N-(prop-2-yn-1-yl)benzamide,
1017048-13-3,
EN300-50467,
AC1Q5OI4,
CTK5J0784,
3-Cyano-N-(2-propynyl)benzamide,
FCH032039,
ZINC13021612,
AKOS000185715,
BBV-080711,
MCULE-2366460985,
NE28342,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.198g/mol |
| Monoisotopic Mass | 184.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number