Basic information
- CAS
17750-93-5- Standard SMILES
c1cc2ccc3cc4c(c5ccc(c1)c2c35)CCCC4- InChIKey
CTXOSVBTVTWJBN-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- 7,8,9,10-Tetrahydrobenzo(a)pyrene
- IUPAC
- 7,8,9,10-tetrahydrobenzo[a]pyrene
Names & synonyms
7,8,9,10-Tetrahydrobenzo[a]pyrene7,8,9,10-Tetrahydrobenzo(a)pyrene7,8,9,10-Tetrahydrobenz(a)pyreneX6YIN953QD17750-93-5BENZO(a)PYRENE, 7,8,9,10-TETRAHYDRO-DTXSID201300493RefChem:105546DTXCID0017306107,8,9,10-THBP1',2',3',4'-Tetrahydro-3,4-benzopyreneUNII-X6YIN953QD
Show more names
BRN 22689654-05-00-02592 (Beilstein Handbook Reference)SCHEMBL7543863CTXOSVBTVTWJBN-UHFFFAOYSA-N7,8,9,10-Tetrahydrobenzo[pqr]tetraphene1',2',3',4'-Tetrahydro-3,4-benzpyren7,8,9,10-Tetrahydrobenzo[def]chrysene #Q27293618
Database identifiers
- CAS
17750-93-5- PubChem CID
- 620668
- DTXSID
DTXSID201300493- UNII
- X6YIN953QD
- Nikkaji
- J65.900B
Properties
Computed structural properties
- XLogP
- 6.4
- 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
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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