Basic information
- CAS
71697-30-8- Standard SMILES
OC1Cc2c(cc3ccc4cccc5ccc2c3c45)C(O)C1O- InChIKey
GFANZDFKCCJYRF-UHFFFAOYSA-N- Molecular formula
- C20H16O3
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.10994437
Names & identifiers
- Preferred name
- 7,8,9,10-Tetrahydrobenzo(pqr)tetraphene-7,8,9-triol
- IUPAC
- 7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
Names & synonyms
71697-30-8DTXSID309923087,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol7,8,9,10-Tetrahydrobenzo(pqr)tetraphene-7,8,9-triolRefChem:1074263DTXCID30221680Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triolPD037830
Database identifiers
- CAS
71697-30-8- PubChem CID
- 1319
- DTXSID
DTXSID30992308
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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