[2-(3-Methyloxiran-2-yl)-6-oxo-2,3-dihydropyran-3-yl] acetate
Basic information
- CAS
69651-03-2- Standard SMILES
CC(=O)OC1C=CC(=O)OC1C1OC1C- InChIKey
SPKNARKFCOPTSY-UHFFFAOYSA-N- Molecular formula
- C10H12O5
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.06847348
Names & identifiers
- Preferred name
- [2-(3-Methyloxiran-2-yl)-6-oxo-2,3-dihydropyran-3-yl] acetate
- IUPAC
- [2-(3-methyloxiran-2-yl)-6-oxo-2,3-dihydropyran-3-yl] acetate
Names & synonyms
69651-03-2[2-(3-methyloxiran-2-yl)-6-oxo-2,3-dihydropyran-3-yl] acetateAsperlin 224bUpjohn 224bSCHEMBL4618CHEMBL2103782SPKNARKFCOPTSY-UHFFFAOYSA-ND029995,6-Dihydropyran-2-one, 5-acetoxy-6-(1,2-epoxypropyl)-5092-84-2
Database identifiers
- CAS
69651-03-2- PubChem CID
- 35319
- ChEMBL
CHEMBL2103782
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 322
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Related reactions
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Compound notes
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