| CAS Number | 79341-72-3 |
| Catalog Number | AG01AG32(AGN-PC-0UED08) |
| Chemical Name | methyl 2-cyano-2-methyl-2-phenylacetate |
| IUPAC Name | methyl 2-cyano-2-phenylpropanoate |
| InChI | InChI=1S/C11H11NO2/c1-11(8-12,10(13)14-2)9-6-4-3-5-7-9/h3-7H,1-2H3 |
| InChI Key | WYFPWLHRPZDLMF-UHFFFAOYSA-N |
| MDL Number | MFCD28397306 |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.2105 |
| SMILES | COC(C(C1=CC=CC=C1)(C#N)C)=O |
| Synonyms | methyl 2-cyano-2-methyl-2-phenylacetate,
79341-72-3,
Methyl 2-cyano-2-phenylpropanoate,
2-methoxycarbonyl-2-phenylpropionitrile,
AC1LBGZC,
SCHEMBL7875948,
CTK6I7320,
WYFPWLHRPZDLMF-UHFFFAOYSA-N,
Methyl 2-cyano-2-phenylpropanoate #,
AKOS022643030,
2-Phenyl-2-cyanopropionic acid methyl ester,
Z2037257224,
Benzeneacetic acid, .alpha.-cyano-.alpha.-methyl-, methyl ester,
CID582562,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.214g/mol |
| Monoisotopic Mass | 189.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number