Basic information
- CAS
99520-59-9- Standard SMILES
Oc1cccc2c1-c1cc3cccc4ccc5ccc-2c1c5c43- InChIKey
JOXMQEJLOBSNAW-UHFFFAOYSA-N- Molecular formula
- C22H12O
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.088815
Names & identifiers
- Preferred name
- Indeno(1,2,3-cd)pyren-9-ol
- IUPAC
- hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaen-3-ol
Names & synonyms
Indeno(1,2,3-cd)pyren-9-ol9-Hydroxyindeno(1,2,3-cd)pyrene99520-59-9CCRIS 25489-HYDROXYINDENO[1,2,3-CD]PYRENEindeno[1,2,3-cd]pyren-7-olDTXSID00244109
Database identifiers
- CAS
99520-59-9- PubChem CID
- 150520
- DTXSID
DTXSID00244109
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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