Basic information
- CAS
440364-29-4- Standard SMILES
CCC1C(=O)OC(=O)C1Cc1ccccc1- InChIKey
BNQMQIVTMXWBAF-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- 3-Benzyl-4-ethyldihydrofuran-2,5-dione
- IUPAC
- 3-benzyl-4-ethyloxolane-2,5-dione
- English name
- 2,5-Furandione,3-ethyldihydro-4-(phenylmethyl)-(9CI)
- Molecular formula
- C13H14O3
- Molecular weight
- 218.25
Names & synonyms
3-Benzyl-4-ethyldihydrofuran-2,5-dione440364-29-42,5-Furandione, 3-ethyldihydro-4-(phenylmethyl)-2,5-Furandione,3-ethyldihydro-4-(phenylmethyl)-(9CI)
Database identifiers
- CAS
440364-29-4- PubChem CID
- 45095334
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 367.4 · 367.4±11.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…