Basic information
- CAS
17573-23-8- Standard SMILES
C1=Cc2c(cc3ccc4cccc5ccc2c3c45)CC1- InChIKey
PDZWPBIJXRAPEW-UHFFFAOYSA-N- Molecular formula
- C20H14
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.10955045
Overview
structure given in first source
Names & identifiers
- Preferred name
- 7,8-Dihydrobenzo(a)pyrene
- IUPAC
- 7,8-dihydrobenzo[a]pyrene
- English name
- 7,8-dihydrobenzo(a)pyrene
- Molecular formula
- C20H14
- Molecular weight
- 254.33
Names & synonyms
7,8-dihydrobenzo[a]pyrene7,8-Dihydrobenzo(a)pyrene17573-23-8BENZO(a)PYRENE, 7,8-DIHYDRO-TI48OJX2PIDTXSID80170013RefChem:105568DTXCID8092504CCRIS 968BRN 1965497UNII-TI48OJX2PI7,8-Dihydrobenzo[pqr]tetraphene
Show more names
Benzo[a]pyrene, 7,8-dihydro-
PDZWPBIJXRAPEW-UHFFFAOYSA-NDIHYDROBENZO(A)PYRENE, 7,8-
Database identifiers
- CAS
17573-23-8- PubChem CID
- 28599
- DTXSID
DTXSID80170013- UNII
- TI48OJX2PI
- Nikkaji
- J36.049J
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Melting point
- 128 °C · 128°C
- Boiling point
- 332.54 °C · 332.54°C (rough estimate)
- Density
- 1.118 · 1.1180 (estimate)
- refractive index
- 1.704 · 1.7040 (estimate)
- FDA UNII
- 48 OJX2PI · TI48OJX2PI
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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