| CAS Number | 1803608-60-7 |
| Catalog Number | AG01ALAV |
| Chemical Name | Ethyl 5,5-dimethyl-4-oxooxolane-3-carboxylate |
| IUPAC Name | ethyl 5,5-dimethyl-4-oxooxolane-3-carboxylate |
| InChI | InChI=1S/C9H14O4/c1-4-12-8(11)6-5-13-9(2,3)7(6)10/h6H,4-5H2,1-3H3 |
| InChI Key | VPVPKYZTNBWITG-UHFFFAOYSA-N |
| MDL Number | MFCD26131224 |
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.2051 |
| SMILES | CCOC(C1C(=O)C(C)(C)OC1)=O |
| Synonyms | ethyl 5,5-dimethyl-4-oxooxolane-3-carboxylate,
1803608-60-7,
AKOS033801290,
AM807307,
ethyl 5,5-dimethyl-4-oxotetrahydrofuran-3-carboxylate,
Z2205998993,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.207g/mol |
| Monoisotopic Mass | 186.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number