| CAS Number | 66476-82-2 |
| Catalog Number | AG00FMEK(AGN-PC-00308T) |
| Chemical Name | Tert-butyl 2-cyano-2-methylacetate |
| IUPAC Name | tert-butyl 2-cyanopropanoate |
| InChI | InChI=1S/C8H13NO2/c1-6(5-9)7(10)11-8(2,3)4/h6H,1-4H3 |
| InChI Key | BCZMTZSKYRBPRC-UHFFFAOYSA-N |
| MDL Number | MFCD12545840 |
| Molecular Formula | C8H13NO2 |
| Molecular Weight | 155.1943 |
| SMILES | CC(C(OC(C)(C)C)=O)C#N |
| Synonyms | 66476-82-2,
TERT-BUTYL 2-CYANO-2-METHYLACETATE,
Propanoic acid, 2-cyano-, 1,1-dimethylethyl ester,
tert.-butyl 2-cyanopropionate,
SCHEMBL7773527,
BCZMTZSKYRBPRC-UHFFFAOYSA-N,
AKOS026744981,
2-Cyanopropanoic acid tert-butyl ester,
cyano-methyl-acetic acid tert-butyl ester,
tert-butyl 2-cyanopropanoate,
2-Cyanopropionicacidisobutylester,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.197g/mol |
| Monoisotopic Mass | 155.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number