| CAS Number | 42415-65-6 |
| Catalog Number | AG01A43I(AGN-PC-0WO3YD) |
| Chemical Name | Ethyl 2-(tert-butoxy)acetate |
| IUPAC Name | ethyl 2-[(2-methylpropan-2-yl)oxy]acetate |
| InChI | InChI=1S/C8H16O3/c1-5-10-7(9)6-11-8(2,3)4/h5-6H2,1-4H3 |
| InChI Key | NNNKTGUIDUXZEX-UHFFFAOYSA-N |
| MDL Number | MFCD11196077 |
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.2108 |
| SMILES | O=C(OCC)COC(C)(C)C |
| Synonyms | ethyl 2-(tert-butoxy)acetate,
42415-65-6,
SCHEMBL5607319,
tert-Butoxyacetic acid ethyl ester,
ZINC20506583,
AKOS009256197,
NE55790,
SC-72827,
CID10997336,
Ethyl 2-[(2-methylpropan-2-yl)oxy]acetate,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.213g/mol |
| Monoisotopic Mass | 160.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number