3,4-Dihydrochrysene-2,3,4-triol
Basic information
- CAS
84498-36-2- Standard SMILES
OC1=Cc2ccc3c(ccc4ccccc43)c2C(O)C1O- InChIKey
PCURSCOSQFZBCP-UHFFFAOYSA-N- Molecular formula
- C18H14O3
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.0942943
Names & identifiers
- Preferred name
- 3,4-Dihydrochrysene-2,3,4-triol
- IUPAC
- 3,4-dihydrochrysene-2,3,4-triol
Names & synonyms
84498-36-23,4-dihydrochrysene-2,3,4-triol2,3,4-Chrysenetriol, 3,4-dihydro-DTXSID7010047672,3,4-trihydroxy-3,4-dihydrochrysene
Database identifiers
- CAS
84498-36-2- PubChem CID
- 186307
- DTXSID
DTXSID701004767
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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