| CAS Number | 1989672-89-0 |
| Catalog Number | AG01B5QA |
| Chemical Name | methyl 3-(propan-2-yloxy)oxolane-3-carboxylate |
| IUPAC Name | methyl 3-propan-2-yloxyoxolane-3-carboxylate |
| InChI | InChI=1S/C9H16O4/c1-7(2)13-9(8(10)11-3)4-5-12-6-9/h7H,4-6H2,1-3H3 |
| InChI Key | IDRMKCHOBMKVSJ-UHFFFAOYSA-N |
| MDL Number | MFCD30342652 |
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.2209 |
| SMILES | COC(C1(OC(C)C)COCC1)=O |
| Synonyms | methyl 3-(propan-2-yloxy)oxolane-3-carboxylate,
1989672-89-0,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.223g/mol |
| Monoisotopic Mass | 188.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number