| CAS Number | 21175-42-8 |
| Catalog Number | AG01A05Q(AGN-PC-008D7T) |
| Chemical Name | 5-benzyloxolan-2-one |
| IUPAC Name | 5-benzyloxolan-2-one |
| InChI | InChI=1S/C11H12O2/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
| InChI Key | OJKCYERWEGKEIS-UHFFFAOYSA-N |
| MDL Number | MFCD22378632 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | O=C1OC(CC2=CC=CC=C2)CC1 |
| Synonyms | 5-benzyloxolan-2-one,
21175-42-8,
5-Phenyl-gamma-valerolactone,
5-benzyl-dihydro-furan-2-one,
gamma-benzyl-gamma-butyrolactone,
SCHEMBL6496581,
CTK0I9665,
DTXSID80532354,
AKOS033329392,
MCULE-9061973581,
NE44961,
2(3H)-Furanone, dihydro-5-(phenylmethyl)-,
Z1421484475,
5-benzyldihydrofuran-2(3H)-one,
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| 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 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number