Basic information
- CAS
126084-19-3- Standard SMILES
O=C1CC2(C=CC3(C=C2)OCCO3)c2cc3c(cc21)OCO3- InChIKey
DQQHAEFHIMRSSK-UHFFFAOYSA-N- Molecular formula
- C17H14O5
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.08412354
Names & identifiers
- Preferred name
- CID 14592991
- English name
- Dispiro[1,3-dioxolane-2,1'-[2,5]cyclohexadiene-4',5''-[5H]indeno[5,6-d][1,3]dioxol]-7''(6''H)-one
- Molecular formula
- C17H14O5
- Molecular weight
- 298.29
Names & synonyms
Dispiro[1,3-dioxolane-2,1'-[2,5]cyclohexadiene-4',5''-[5H]indeno[5,6-d][1,3]dioxol]-7''(6''H)-one
Database identifiers
- CAS
126084-19-3- PubChem CID
- 14592991
- Nikkaji
- J312.750H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- Melting point
- 191 · 191.0-191.5 °C
- Boiling point
- 506.095 · 506.095±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.469 · 1.469±0.10 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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