Bicyclo(4.2.0)octan-7-one
Basic information
- CAS
54211-18-6- Standard SMILES
O=C1CC2CCCCC12- InChIKey
SUIWRIPFUAFDJP-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- Bicyclo(4.2.0)octan-7-one
- IUPAC
- bicyclo[4.2.0]octan-7-one
- English name
- Bicyclo[4.2.0]octan-7-one
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
Bicyclo[4.2.0]octan-7-one54211-18-6DTXSID901015998Bicyclo(4.2.0)octan-7-oneRefChem:329399DTXCID101474150SUIWRIPFUAFDJP-UHFFFAOYSA-Nrac-(1R,6R)-bicyclo[4.2.0]octan-7-one, cisbicyclo[4,2,0]octan-7-one(1RS,6RS)-Bicyclo[4.2.0]octan-7-onebicyclo[4.2.0]octan-8-oneSCHEMBL3156646
Show more names
CBA65570AKOS017977310AT53238Bicyclo[4.2.0]octan-7-one, (1R,6R)-rel-EN300-189194F8884-9331
Database identifiers
- CAS
54211-18-6- PubChem CID
- 549083
- DTXSID
DTXSID901015998- Nikkaji
- J337.924H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 201.6 · 201.6±8.0 °C(Predicted)
- Density
- 1.039 · 1.039±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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