Basic information
- CAS
99520-66-8- Standard SMILES
Oc1cc2c3c(cc4cccc5ccc1c3c54)-c1ccccc1-2- InChIKey
LLNVSKHNSKFCIS-UHFFFAOYSA-N- Molecular formula
- C22H12O
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.088815
Names & identifiers
- Preferred name
- 2-Hydroxyindeno(1,2,3-cd)pyrene
- IUPAC
- hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8,10,12,14(19),15,17,20-undecaen-10-ol
Names & synonyms
2-Hydroxyindeno(1,2,3-cd)pyreneCCRIS 255099520-66-8DTXSID302441122-HYDROXYINDENO[1,2,3-CD]PYRENERefChem:261884DTXCID30166603indeno[1,2,3-cd]pyren-12-ol
Database identifiers
- CAS
99520-66-8- PubChem CID
- 152185
- DTXSID
DTXSID30244112
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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