Basic information
- CAS
28622-70-0- Standard SMILES
OC1c2cccc3ccc4cccc(c4c23)C1O- InChIKey
NIUGQCSXPHANNG-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- 4,5-Dihydro-4,5-pyrenediol
- IUPAC
- 4,5-dihydropyrene-4,5-diol
Names & synonyms
28622-70-04,5-dihydropyrene-4,5-diol4,5-Dihydro-4,5-pyrenediol4,5-Pyrenediol, 4,5-dihydro-SCHEMBL2935054DTXSID009512854,5-dihydro-4,5-dihydroxypyrene
Database identifiers
- CAS
28622-70-0- PubChem CID
- 147285
- DTXSID
DTXSID00951285- Nikkaji
- J772.258C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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