Basic information
- CAS
21864-05-1- Standard SMILES
COC(=O)C1C(=O)OC(C)(C)C1c1ccccc1- InChIKey
FEAWPMCUFZGKME-UHFFFAOYSA-N- Molecular formula
- C14H16O4
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.10485899
Names & identifiers
- Preferred name
- Methyl 5,5-dimethyl-2-oxo-4-phenyloxolane-3-carboxylate
- IUPAC
- methyl 5,5-dimethyl-2-oxo-4-phenyloxolane-3-carboxylate
Names & synonyms
21864-05-1NSC108986methyl 5,5-dimethyl-2-oxo-4-phenyloxolane-3-carboxylateDTXSID709444673-Furancarboxylic acid,tetrahydro-5,5-dimethyl-2-oxo-4-phenyl-, methyl esterNSC-108986DS-002699
Database identifiers
- CAS
21864-05-1- PubChem CID
- 268673
- DTXSID
DTXSID70944467
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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