Basic information
- CAS
86803-16-9- Standard SMILES
CCOC(=O)C1CCCc2cc3ccc4cccc5ccc(c21)c3c45- InChIKey
NTVSFHRPIQJOSK-UHFFFAOYSA-N- Molecular formula
- C23H20O2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.14632988
Names & identifiers
- Preferred name
- Ethyl 7,8,9,10-tetrahydrobenzo[pqr]tetraphene-10-carboxylate
- IUPAC
- ethyl 7,8,9,10-tetrahydrobenzo[a]pyrene-10-carboxylate
Names & synonyms
86803-16-9Ethyl 7,8,9,10-tetrahydrobenzo(pqr)tetraphene-10-carboxylateDTXSID401007093ethyl 7,8,9,10-tetrahydrobenzo[pqr]tetraphene-10-carboxylateRefChem:344610DTXCID301433954
Database identifiers
- CAS
86803-16-9- PubChem CID
- 190073
- DTXSID
DTXSID401007093
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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