6,7-Dioxabicyclo[3.2.1]oct-2-ene-8-carboxylic acid
Basic information
- CAS
150648-20-7- Standard SMILES
O=C(O)C1C2C=CCC1OO2- InChIKey
OXQRBLDPPPAHDQ-UHFFFAOYSA-N- Molecular formula
- C7H8O4
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.04225873
Names & identifiers
- Preferred name
- 6,7-Dioxabicyclo[3.2.1]oct-2-ene-8-carboxylic acid
- IUPAC
- 6,7-dioxabicyclo[3.2.1]oct-2-ene-8-carboxylic acid
- English name
- 6,7-Dioxabicyclo[3.2.1]oct-2-ene-8-carboxylicacid(9CI)
- Molecular formula
- C7H8O4
- Molecular weight
- 156.14
Names & synonyms
150648-20-76,7-DIOXABICYCLO[3.2.1]OCT-2-ENE-8-CARBOXYLIC ACIDDTXSID706657416,7-Dioxabicyclo[3.2.1]oct-2-ene-8-carboxylicacid(9CI)
Database identifiers
- CAS
150648-20-7- PubChem CID
- 45084875
- DTXSID
DTXSID70665741
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 275.6 · 275.6±40.0 °C(Predicted)
- Density
- 1.412 · 1.412±0.06 g/cm3(Predicted)
- pka
- 3.76 · 3.76±0.20(Predicted)
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Related reactions
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Compound notes
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