2,5-Dioxotetrahydrofuran-3,4-diyl bis(4-methylbenzoate)
Basic information
- CAS
198762-70-8- Standard SMILES
Cc1ccc(C(=O)OC2C(=O)OC(=O)C2OC(=O)c2ccc(C)cc2)cc1- InChIKey
BCIJHROJBLWCLV-UHFFFAOYSA-N- Molecular formula
- C20H16O7
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 368.08960285
Names & identifiers
- Preferred name
- 2,5-Dioxotetrahydrofuran-3,4-diyl bis(4-methylbenzoate)
- IUPAC
- [4-(4-methylbenzoyl)oxy-2,5-dioxooxolan-3-yl] 4-methylbenzoate
- English name
- Benzoic acid, 4-methyl-, tetrahydro-2,5-dioxo-3,4-furandiyl ester (9CI)
- Molecular formula
- C20H16O7
- Molecular weight
- 368.34
Names & synonyms
198762-70-82,5-Dioxotetrahydrofuran-3,4-diyl bis(4-methylbenzoate)SCHEMBL8458023DTXSID501169511AKOS0244311472,5-Dioxooxolane-3,4-diyl bis(4-methylbenzoate)Benzoic acid, 4-methyl-, tetrahydro-2,5-dioxo-3,4-furandiyl ester[4-(4-methylbenzoyl)oxy-2,5-dioxo-tetrahydrofuran-3-yl] 4-methylbenzoate4-[(4-methylbenzoyl)oxy]-2,5-dioxotetrahydro-3-furanyl 4-methylbenzoate3,4-DIHYDROXY-2,5-DIOXOTETRAHYDROFURAN DI-P-TOLUATEBenzoic acid, 4-methyl-, tetrahydro-2,5-dioxo-3,4-furandiyl ester (9CI)
Database identifiers
- CAS
198762-70-8- PubChem CID
- 4152544
- DTXSID
DTXSID501169511- EC Number
- 927-023-7
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Melting point
- 197 · 197-198 °C (decomp)(Solv: xylene (1330-20-7); ethyl acetate (141-78-6))
- Boiling point
- 558.2 · 558.2±50.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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