2H-4,7-Methano[1,3]dioxolo[4,5-d]oxepine
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Basic information
- CAS
90566-64-6- Standard SMILES
C1=C2CC(=CO2)C2=C1OCO2- InChIKey
OIWYZDSXPXQHDN-UHFFFAOYSA-N- Molecular formula
- C8H6O3
- Average molar mass
- 150.13 g/mol
- Monoisotopic mass
- 150.03169405
Names & identifiers
- Preferred name
- 2H-4,7-Methano[1,3]dioxolo[4,5-d]oxepine
- IUPAC
- 3,5,9-trioxatricyclo[6.2.1.02,6]undeca-1(10),2(6),7-triene
- English name
- 4,7-Methano-1,3-dioxolo[4,5-d]oxepin (9CI)
- Molecular formula
- C8H6O3
- Molecular weight
- 0
Names & synonyms
90566-64-62H-4,7-Methano[1,3]dioxolo[4,5-d]oxepineDTXSID40723246PubChem ID: 573556564,7-Methano-1,3-dioxolo[4,5-d]oxepin (9CI)
Database identifiers
- CAS
90566-64-6- PubChem CID
- 57355656
- DTXSID
DTXSID40723246
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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