5-Methoxybenzo[pqr]tetraphene
Basic information
- CAS
56183-00-7- Standard SMILES
COc1cc2cccc3ccc4c5ccccc5cc1c4c32- InChIKey
OXJRZQSGIXGFRZ-UHFFFAOYSA-N- Molecular formula
- C21H14O
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.10446507
Names & identifiers
- Preferred name
- 5-Methoxybenzo[pqr]tetraphene
- IUPAC
- 5-methoxybenzo[a]pyrene
Names & synonyms
5-methoxybenzo[pqr]tetraphene56183-00-75-Methoxybenzo(a)pyreneBenzo(a)pyrene, 5-methoxy-DTXSID30971572
Database identifiers
- CAS
56183-00-7- PubChem CID
- 92050
- DTXSID
DTXSID30971572
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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