| CAS Number | 33224-69-0 |
| Catalog Number | AG01AFFD(AGN-PC-0R8S4S) |
| Chemical Name | 2-Ethoxy-2-phenylacetonitrile |
| IUPAC Name | 2-ethoxy-2-phenylacetonitrile |
| InChI | InChI=1S/C10H11NO/c1-2-12-10(8-11)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3 |
| InChI Key | RTTFWOLWRMFSKA-UHFFFAOYSA-N |
| MDL Number | MFCD21684261 |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2004 |
| SMILES | CCOC(C1=CC=CC=C1)C#N |
| Synonyms | 2-ethoxy-2-phenylacetonitrile,
33224-69-0,
Benzeneacetonitrile, alpha-ethoxy-,
ethoxy(phenyl)acetonitrile,
SCHEMBL1200547,
GEO-01372,
AKOS015414237,
MCULE-5955339210,
NE44569,
Z1744660004,
Ethyl phenylcyanoacetate,
4553-07-5,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.204g/mol |
| Monoisotopic Mass | 161.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number