Basic information
- CAS
100700-14-9- Standard SMILES
OC1C2=C(O2)c2cc3c(ccc4ccccc43)cc2C1O- InChIKey
IEJALZPVWUCOSK-UHFFFAOYSA-N- Molecular formula
- C18H12O3
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.07864424
Names & identifiers
- Preferred name
- 8,9-Dihydroxy-10,11-epoxy-8,9-dihydrobenz(a)anthracene
- IUPAC
- 5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),4(6),10,12,14,16,18-octaene-7,8-diol
Names & synonyms
8,9-Dihydroxy-10,11-epoxy-8,9-dihydrobenz(a)anthracene100700-14-9BENZ(a)ANTHRACENE, 8,9-DIHYDRO-8,9-DIHYDROXY-10,11-EPOXY-2,3-dihydrotetrapheno[10,11-b]oxirene-2,3-diol5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),4(6),10,12,14,16,18-octaene-7,8-diolDTXSID70905679
Database identifiers
- CAS
100700-14-9- PubChem CID
- 57960
- DTXSID
DTXSID70905679- Nikkaji
- J149.216K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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