4,7-Ethanoisobenzofuran-1,3,5,8(4H)-tetrone, tetrahydro-
Basic information
- CAS
6537-90-2- Standard SMILES
O=C1CC2C(=O)CC1C1C(=O)OC(=O)C21- InChIKey
DOEBRZGMLPHNHL-UHFFFAOYSA-N- Molecular formula
- C10H8O5
- Average molar mass
- 208.17 g/mol
- Monoisotopic mass
- 208.03717335
Names & identifiers
- Preferred name
- 4,7-Ethanoisobenzofuran-1,3,5,8(4H)-tetrone, tetrahydro-
- IUPAC
- 4-oxatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
- English name
- 3a,6,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3,5,9(4H)-tetrone
- Molecular formula
- C10H8O5
- Molecular weight
- 208.17
Names & synonyms
6537-90-24,7-Ethanoisobenzofuran-1,3,5,8(4H)-tetrone, tetrahydro-DTXSID50298091RefChem:286106DTXCID30249228Bicyclo[2.2.2]octane-2,3-dicarboxylic anhydride, 5,7-dioxo-3a,6,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3,5,9(4H)-tetroneNSC120525SCHEMBL11950278DOEBRZGMLPHNHL-UHFFFAOYSA-NRCL T2886324,3,5,8(4H)-tetrone, tetrahydro-
Show more names
NSC-120525Bicyclo[2.2.2]octane-2, 5,7-dioxo-DS-0105242,5-dioxo-bicyclo[2.2.2]octan-7,8-dicarboxylic anhydrideTetrahydro-4,7-ethano-2-benzofuran-1,3,5,8(4H)-tetrone
Database identifiers
- CAS
6537-90-2- PubChem CID
- 274471
- DTXSID
DTXSID50298091
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Melting point
- 270 · 270-272 °C (decomp)
- Boiling point
- 487.805 · 487.805±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.551 · 1.551±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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