Basic information
- CAS
158570-62-8- Standard SMILES
OC1c2ccc3ccc4cccc5cc(c2c3c45)C1O- InChIKey
ZICJXVAIOSTCST-UHFFFAOYSA-N- Molecular formula
- C18H12O2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.08372962
Names & identifiers
- Preferred name
- Cyclopenta(cd)pyrene-3,4-diol, 3,4-dihydro-
- IUPAC
- pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),4(17),5,7(16),8,10(15),11,13-octaene-2,3-diol
Names & synonyms
158570-62-8Cyclopenta(cd)pyrene-3,4-diol, 3,4-dihydro-RefChem:3358553,4-Dihydrocyclopenta(cd)pyrene-3,4-diol3,4-Dihydrocyclopenta[cd]pyrene-3,4-diolDTXSID00935949
Database identifiers
- CAS
158570-62-8- PubChem CID
- 178016
- DTXSID
DTXSID00935949- Nikkaji
- J524.612A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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