5,6,8,9-Tetrahydro-7h-5,6,9-(epoxyethane[1,2,2]triyl)benzo[7]annulene-7,11-dione
Basic information
- CAS
15100-50-2- Standard SMILES
O=C1OC2c3ccccc3C3CC(=O)C2C13- InChIKey
BYCOICCAZRCHAN-UHFFFAOYSA-N- Molecular formula
- C13H10O3
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.06299418
Names & identifiers
- Preferred name
- 5,6,8,9-Tetrahydro-7h-5,6,9-(epoxyethane[1,2,2]triyl)benzo[7]annulene-7,11-dione
- IUPAC
- 3-oxatetracyclo[8.4.0.02,6.05,9]tetradeca-1(14),10,12-triene-4,7-dione
Names & synonyms
15100-50-2NSC1063285,6,8,9-tetrahydro-7h-5,6,9-(epoxyethane[1,2,2]triyl)benzo[7]annulene-7,11-dioneDTXSID80295932NSC-106328
Database identifiers
- CAS
15100-50-2- PubChem CID
- 267197
- DTXSID
DTXSID80295932
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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