| CAS Number | 177748-58-2 |
| Catalog Number | AG01DYVP(AGN-PC-0NBJ3R) |
| Chemical Name | 4-Benzyloxolan-3-one |
| IUPAC Name | 4-benzyloxolan-3-one |
| InChI | InChI=1S/C11H12O2/c12-11-8-13-7-10(11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
| InChI Key | UABYXFFGUUYCAX-UHFFFAOYSA-N |
| MDL Number | MFCD24691615 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | O=C1C(CC2=CC=CC=C2)COC1 |
| Synonyms | 4-benzyloxolan-3-one,
177748-58-2,
4-Benzyltetrahydrofuran-3-one,
CID10845001,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number