(2-Methyl-2-phenyl-1,3-dioxolan-4-yl)methyl acetate
Basic information
- CAS
69704-25-2- Standard SMILES
CC(=O)OCC1COC(C)(c2ccccc2)O1- InChIKey
WQVXJESXYNGBLY-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- (2-Methyl-2-phenyl-1,3-dioxolan-4-yl)methyl acetate
- IUPAC
- (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl acetate
- English name
- (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl acetate
- Molecular formula
- C13H16O4
- Molecular weight
- 236.26
Names & synonyms
(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl acetate69704-25-2NSC26413DTXSID60282542NSC-264131,3-Dioxolane-4-methanol, 2-methyl-2-phenyl-, 4-acetate
Database identifiers
- CAS
69704-25-2- PubChem CID
- 230968
- DTXSID
DTXSID60282542
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 325.1 · 325.1±32.0 °C(Predicted)
- Density
- 1.119 · 1.119±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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