1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran
Basic information
- CAS
5263-63-8- Standard SMILES
C1=CC2CC1C1COCC21- InChIKey
KTONMPPWCXZPDT-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Names & identifiers
- Preferred name
- 1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran
- IUPAC
- 4-oxatricyclo[5.2.1.02,6]dec-8-ene
Names & synonyms
5263-63-81,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuranRefChem:2167624,7-Methanoisobenzofuran, 1,3,3a,4,7,7a-hexahydro-endo-4-Oxatricyclo[5.2.1.0(2,6)]dec-8-eneSCHEMBL7135373KTONMPPWCXZPDT-UHFFFAOYSA-NDTXSID2012356801,3,3a,4,7,7a-Hexahydro-4,7-methano-2-benzofuran
Database identifiers
- CAS
5263-63-8- PubChem CID
- 548729
- DTXSID
DTXSID201235680
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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