4,5-Dihydrobenzo(a)pyrene
Basic information
- CAS
57652-66-1- Standard SMILES
c1ccc2c(c1)cc1c3c2ccc2cccc(c23)CC1- InChIKey
WMXZGBBYGZWMCZ-UHFFFAOYSA-N- Molecular formula
- C20H14
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.10955045
Names & identifiers
- Preferred name
- 4,5-Dihydrobenzo(a)pyrene
- IUPAC
- 4,5-dihydrobenzo[a]pyrene
- English name
- 4,5-Dihydrobenzo[a]pyrene
- Molecular formula
- C20H14
- Molecular weight
- 254.33
Names & synonyms
4,5-dihydrobenzo[a]pyrene4,5-Dihydrobenzo(a)pyrene57652-66-1DTXSID50206353RefChem:964904,5-DHBDTXCID50128844BENZO(a)PYRENE, 4,5-DIHYDRO-Benzo[a]pyrene, 4,5-dihydro-BRN 21118804-05-00-02640 (Beilstein Handbook Reference)4,5-dihydrobenzo[pqr]tetraphene
Show more names
4,5-Dihydrobenzo[a]pyrene in toluene
4,5-Dihydrobenzo[def]chrysene #WMXZGBBYGZWMCZ-UHFFFAOYSA-N
Database identifiers
- CAS
57652-66-1- PubChem CID
- 42539
- DTXSID
DTXSID50206353- Nikkaji
- J87.908H
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Melting point
- 143 · 143-144 °C(Solv: cyclohexane (110-82-7))
- Boiling point
- 477 · 477.0±20.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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