| CAS Number | 946125-02-6 |
| Catalog Number | AG01B77U |
| Chemical Name | 4-Phenyloxolan-3-one |
| IUPAC Name | 4-phenyloxolan-3-one |
| InChI | InChI=1S/C10H10O2/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChI Key | FIIIECQDPFHWKL-UHFFFAOYSA-N |
| MDL Number | MFCD24698104 |
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.1852 |
| SMILES | O=C1C(C2=CC=CC=C2)COC1 |
| Synonyms | 4-phenyloxolan-3-one,
4-phenyldihydro-3(2H)-furanone,
946125-02-6,
SCHEMBL4101191,
FIIIECQDPFHWKL-UHFFFAOYSA-N,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.188g/mol |
| Monoisotopic Mass | 162.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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