| CAS Number | 1250400-07-7 |
| Catalog Number | AG019T5O(AGN-PC-0WO6VX) |
| Chemical Name | N-(3-cyanophenyl)-2-cyclopropylacetamide |
| IUPAC Name | N-(3-cyanophenyl)-2-cyclopropylacetamide |
| InChI | InChI=1S/C12H12N2O/c13-8-10-2-1-3-11(6-10)14-12(15)7-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15) |
| InChI Key | HMNTZFJVJYBRDD-UHFFFAOYSA-N |
| MDL Number | MFCD16661398 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | O=C(NC1=CC(C#N)=CC=C1)CC1CC1 |
| Synonyms | N-(3-cyanophenyl)-2-cyclopropylacetamide,
1250400-07-7,
ZINC47846295,
AKOS009288115,
NE56586,
EN300-96386,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.094963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.24g/mol |
| Monoisotopic Mass | 200.094963g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number