Basic information
- CAS
64414-77-3- Standard SMILES
Oc1ccc2c(ccc3cc4c(ccc5ccccc54)cc32)c1O- InChIKey
VQCMTYYVDFDHKO-UHFFFAOYSA-N- Molecular formula
- C22H14O2
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.09937969
Names & identifiers
- Preferred name
- Benzo[k]tetraphene-3,4-diol
- IUPAC
- naphtho[5,6-b]phenanthrene-3,4-diol
Names & synonyms
64414-77-3benzo[k]tetraphene-3,4-diolDTXSID10982984
Database identifiers
- CAS
64414-77-3- PubChem CID
- 149205
- DTXSID
DTXSID10982984- Nikkaji
- J388.009E
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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