Basic information
- CAS
58717-74-1- Standard SMILES
c1ccc2c(c1)[C@@H]1O[C@@H]1[C@H]1O[C@@H]21- InChIKey
BVPHFZWJQTYHDJ-XKNYDFJKSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Names & identifiers
- Preferred name
- Naphtho(1,2-b:3,4-b')bisoxirene, 1a,1b,2a,6b-tetrahydro-, (1aR,1bR,2aR,6bR)-rel-
- IUPAC
- (2S,4S,5S,7S)-3,6-dioxatetracyclo[6.4.0.02,4.05,7]dodeca-1(12),8,10-triene
Names & synonyms
58717-74-1anti-1,2:3,4-Naphthalene dioxide(+-)-anti-Naphthalene 1,2:3,4-dioxideNaphtho(1,2-b:3,4-b')bisoxirene, 1a,1b,2a,6b-tetrahydro-, (1aR,1bR,2aR,6bR)-rel-DTXSID309742401a,1b,2a,6b-Tetrahydronaphtho[1,2-b:3,4-b']bisoxirene(1aS,1bS,2aS,6bS)-1a,1b,2a,6b-tetrahydronaphtho[1,2-b:3,4-b']bisoxireneNaphtho(1,2-b:3,4-b')bisoxirene, 1a,1b,2a,6b-tetrahydro-, (1aalpha,1bbeta,2abeta,6balpha)-
Database identifiers
- CAS
58717-74-1- PubChem CID
- 186705
- DTXSID
DTXSID30974240
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 25.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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