7-Oxabicyclo(2.2.1)hept-5-en-2-one
Basic information
- CAS
95530-78-2- Standard SMILES
O=C1CC2C=CC1O2- InChIKey
UOJMBOVGSKPEHF-UHFFFAOYSA-N- Molecular formula
- C6H6O2
- Average molar mass
- 110.11 g/mol
- Monoisotopic mass
- 110.03677943
Names & identifiers
- Preferred name
- 7-Oxabicyclo(2.2.1)hept-5-en-2-one
- IUPAC
- 7-oxabicyclo[2.2.1]hept-5-en-2-one
Names & synonyms
7-Oxabicyclo[2.2.1]hept-5-en-2-one95530-78-2DTXSID7010159047-Oxabicyclo(2.2.1)hept-5-en-2-oneRefChem:1074520DTXCID1014740677-oxanorbornenoneSCHEMBL1701972UOJMBOVGSKPEHF-UHFFFAOYSA-UOJMBOVGSKPEHF-UHFFFAOYSA-NEN300-200237InChI=1/C6H6O2/c7-5-3-4-1-2-6(5)8-4/h1-2,4,6H,3H2
Database identifiers
- CAS
95530-78-2- PubChem CID
- 549244
- DTXSID
DTXSID701015904- Nikkaji
- J819.661C
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 160
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…