Basic information
- CAS
121209-34-5- Standard SMILES
Oc1c2c(c3c(ccc4cc5ccc6ccccc6c5cc43)c1O)O2- InChIKey
OJBNDAXVHCPIAC-UHFFFAOYSA-N- Molecular formula
- C22H12O3
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.07864424
Names & identifiers
- Preferred name
- 21-Oxahexacyclo[12.9.0.03,12.04,9.017,23.020,22]tricosa-1(14),2,4,6,8,10,12,15,17(23),18,20(22)-undecaene-18,19-diol
- IUPAC
- 21-oxahexacyclo[12.9.0.03,12.04,9.017,23.020,22]tricosa-1(14),2,4,6,8,10,12,15,17(23),18,20(22)-undecaene-18,19-diol
- English name
- (+)-Anti-dibenz(A,J)anthracene-3,4-diol-1,2-epoxide
- Molecular formula
- C22H12O3
- Molecular weight
- 324.32888
Names & synonyms
121209-34-5DTXSID70923717131486-57-2Benzo[10,11]tetrapheno[1,2-b]oxirene-2,3-diol(+)-Anti-dibenz(A,J)anthracene-3,4-diol-1,2-epoxide
Database identifiers
- CAS
121209-34-5、131486-57-2- PubChem CID
- 147343
- DTXSID
DTXSID70923717
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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