Benzanthracene-8,9-oxide
Basic information
- CAS
34501-55-8- Standard SMILES
C1=CC2OC2c2cc3ccc4ccccc4c3cc21- InChIKey
SVKZFXAHKUJFBQ-UHFFFAOYSA-N- Molecular formula
- C18H12O
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.088815
Names & identifiers
- Preferred name
- Benzanthracene-8,9-oxide
- IUPAC
- 5-oxapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),7,10,12,14,16,18-octaene
- English name
- benzanthracene-8,9-oxide
- Molecular weight
- 0
Names & synonyms
Benzanthracene-8,9-oxideBenz(a)anthracene-8,9-epoxide34501-55-8BENZ(5,6)ANTHRA(1,2-b)OXIRENE, 1a,11b-DIHYDRO-8,9-epoxybenz(a)anthraceneRefChem:117168Benz(a)anthracene 8,9-oxide5-oxapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),7,10,12,14,16,18-octaeneDTXSID809560361a,11b-dihydrotetrapheno[8,9-b]oxirene1a,11b-Dihydrobenz[5,6]anthra[1,2-b]oxirene
Database identifiers
- CAS
34501-55-8- PubChem CID
- 36838
- DTXSID
DTXSID80956036- Nikkaji
- J9.281I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 400
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Related reactions
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Compound notes
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