| CAS Number | 349640-71-7 |
| Catalog Number | AG019UD2 |
| Chemical Name | N-(3-cyanophenyl)propanamide |
| IUPAC Name | N-(3-cyanophenyl)propanamide |
| InChI | InChI=1S/C10H10N2O/c1-2-10(13)12-9-5-3-4-8(6-9)7-11/h3-6H,2H2,1H3,(H,12,13) |
| InChI Key | GPQZNTIOOWYTON-UHFFFAOYSA-N |
| MDL Number | MFCD01812194 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | CCC(NC1=CC(C#N)=CC=C1)=O |
| Synonyms | N-(3-cyanophenyl)propanamide,
349640-71-7,
Propanamide,N-(3-cyanophenyl)-,
AC1LIS2E,
AC1Q2RS4,
SCHEMBL934088,
CTK6C6731,
GPQZNTIOOWYTON-UHFFFAOYSA-N,
ZINC493228,
AKOS000176044,
MCULE-2112068222,
NE45741,
EN300-41291,
CID910264,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number