Benz(a)anthracene-8,9,10-triol, 8,9-dihydro-
Basic information
- CAS
79146-81-9- Standard SMILES
OC1=Cc2cc3c(ccc4ccccc43)cc2C(O)C1O- InChIKey
XPOMAGCFSJYBBI-UHFFFAOYSA-N- Molecular formula
- C18H14O3
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.0942943
Names & identifiers
- Preferred name
- Benz(a)anthracene-8,9,10-triol, 8,9-dihydro-
- IUPAC
- 8,9-dihydrobenzo[b]phenanthrene-8,9,10-triol
Names & synonyms
79146-81-9Benz(a)anthracene-8,9,10-triol, 8,9-dihydro-8,9-dihydrotetraphene-8,9,10-triolDTXSID901000311
Database identifiers
- CAS
79146-81-9- PubChem CID
- 186997
- DTXSID
DTXSID901000311
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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