11-Oxabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
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Basic information
- CAS
4759-11-9- Standard SMILES
C1=CC=C2C=CC=CC(=C1)O2- InChIKey
JHMIUVIYZGGKFX-UHFFFAOYSA-N- Molecular formula
- C10H8O
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.05751487
Names & identifiers
- Preferred name
- 11-Oxabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
- IUPAC
- 11-oxabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
- English name
- Oxido[10]annulene
- Molecular formula
- C10H8O
- Molecular weight
- 144.17
Names & synonyms
11-Oxabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene4759-11-9Oxido[10]annulene11-Oxabicyclo(4.4.1)undeca-1,3,5,7,9-pentaene11-oxa-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaeneSCHEMBL9542721DTXSID8019720511-oxabicyclo[4.4.1]undeca-1,3,5,7,9-pentaen
Database identifiers
- CAS
4759-11-9- PubChem CID
- 138347
- DTXSID
DTXSID80197205- Nikkaji
- J1.291.825I、J1.772.970E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 96
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 52 · 52-53 °C
- Boiling point
- 389.4 · 389.4±11.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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