| CAS Number | 175697-97-9 |
| Catalog Number | AG01AUZI(AGN-PC-0N5OXE) |
| Chemical Name | Methyl 3-cyano-2,2-dimethylpropanoate |
| IUPAC Name | methyl 3-cyano-2,2-dimethylpropanoate |
| InChI | InChI=1S/C7H11NO2/c1-7(2,4-5-8)6(9)10-3/h4H2,1-3H3 |
| InChI Key | MUFRYLVLKAYCKU-UHFFFAOYSA-N |
| MDL Number | MFCD19313186 |
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.1677 |
| SMILES | COC(C(CC#N)(C)C)=O |
| Synonyms | methyl 3-cyano-2,2-dimethylpropanoate,
175697-97-9,
SCHEMBL248088,
MUFRYLVLKAYCKU-UHFFFAOYSA-,
Propanoic acid, 2-(cyanomethyl)-2-methyl-, methyl ester,
ZINC38972908,
AKOS017514241,
MCULE-1215620344,
NE44884,
Z1770273006,
InChI=1/C7H11NO2/c1-7(2,4-5-8)6(9)10-3/h4H2,1-3H3,
CID10510947,
Methyl 3-cyano-2,2-dimethyl-propanoate,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.17g/mol |
| Monoisotopic Mass | 141.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number