3b,4a-Dihydronaphtho[1',8':3,4,5]cyclohept[1,2-b]oxirene-5,6-dione
Basic information
- CAS
100343-44-0- Standard SMILES
O=C1C(=O)C2OC2c2cccc3cccc1c23- InChIKey
UMCOBBODKOFWQI-UHFFFAOYSA-N- Molecular formula
- C14H8O3
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.04734411
Names & identifiers
- Preferred name
- 3b,4a-Dihydronaphtho[1',8':3,4,5]cyclohept[1,2-b]oxirene-5,6-dione
- IUPAC
- 11-oxatetracyclo[7.5.1.05,15.010,12]pentadeca-1,3,5(15),6,8-pentaene-13,14-dione
Names & synonyms
100343-44-03b,4a-Dihydronaphtho[1',8':3,4,5]cyclohept[1,2-b]oxirene-5,6-dione3b,4a-Dihydronaphtho(1',8':3,4,5)cyclohept(1,2-b)oxirene-5,6-dioneRefChem:282870DTXSID3011666928a,9a-Dihydronaphtho[1',8':3,4,5]cyclohepta[1,2-b]oxirene-7,8-dione3b,4a-Dihydronaphtho[1a(2),8a(2):3,4,5]cyclohept[1,2-b]oxirene-5,6-dione
Database identifiers
- CAS
100343-44-0- PubChem CID
- 85519362
- DTXSID
DTXSID301166692
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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