| CAS Number | 933770-71-9 |
| Catalog Number | AG01DX8T |
| Chemical Name | 3-[(benzyloxy)methyl]oxolan-2-one |
| IUPAC Name | 3-(phenylmethoxymethyl)oxolan-2-one |
| InChI | InChI=1S/C12H14O3/c13-12-11(6-7-15-12)9-14-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2 |
| InChI Key | QHQXONYCVAWCCE-UHFFFAOYSA-N |
| MDL Number | MFCD32206253 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | O=C1OCCC1COCC2=CC=CC=C2 |
| Synonyms | 3-(benzyloxymethyl)dihydrofuran-2(3H)-one,
933770-71-9,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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