Basic information
- CAS
158726-88-6- Standard SMILES
OC1C=c2ccc3cccc4ccc(c2c43)C1O- InChIKey
XFEGKXLKGAJRQQ-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- 1,2-Dihydro-1,2-pyrenediol
- IUPAC
- 1,2-dihydropyrene-1,2-diol
Names & synonyms
158726-88-61,2-Dihydro-1,2-pyrenediol1,2-dihydropyrene-1,2-diol1,2-Pyrenediol, 1,2-dihydro-SCHEMBL12485817DTXSID909359731,2-dihydroxy-1,2-dihydropyrene
Database identifiers
- CAS
158726-88-6- PubChem CID
- 178018
- DTXSID
DTXSID90935973
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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