Basic information
- CAS
4729-06-0- Standard SMILES
C1=CC2C=CC(C2)O1- InChIKey
JPFHUVOCZRXQMU-UHFFFAOYSA-N- Molecular formula
- C7H8O
- Average molar mass
- 108.14 g/mol
- Monoisotopic mass
- 108.05751487
Names & identifiers
- Preferred name
- 2-Oxabicyclo[3.2.1]octa-3,6-diene
- IUPAC
- 2-oxabicyclo[3.2.1]octa-3,6-diene
- English name
- 2-Oxabicyclo(3.2.1)octa-3,6-diene
- Molecular formula
- C7H8O
- Molecular weight
- 108.14
Names & synonyms
2-Oxabicyclo[3.2.1]octa-3,6-diene4729-06-02-Oxabicyclo(3.2.1)octa-3,6-dieneDTXSID60963788RefChem:264557DTXCID501391520SCHEMBL39561072-oxa-bicyclo[3.2.1]octa-3,6-diene
Database identifiers
- CAS
4729-06-0- PubChem CID
- 138331
- DTXSID
DTXSID60963788- Nikkaji
- J2.220.329K
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
- 8
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 163.4 · 163.4±20.0 °C(Predicted)
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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