Basic information
- CAS
89458-22-0- Standard SMILES
OC1Cc2cc3c(ccc4ccccc43)cc2C(O)C1O- InChIKey
PJLYABOZZKPPFO-UHFFFAOYSA-N- Molecular formula
- C18H16O3
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.10994437
Names & identifiers
- Preferred name
- Benz[a]anthracene-8,9,10-triol, 8,9,10,11-tetrahydro-
- IUPAC
- 8,9,10,11-tetrahydrobenzo[b]phenanthrene-8,9,10-triol
Names & synonyms
Benz[a]anthracene-8,9,10-triol, 8,9,10,11-tetrahydro-89458-22-0DTXSID602743418,9,10,11-tetrahydrotetraphene-8,9,10-triol
Database identifiers
- CAS
89458-22-0- PubChem CID
- 1900
- DTXSID
DTXSID60274341
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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