Basic information
- CAS
63019-32-9- Standard SMILES
CCCCCCCc1cccc2cc3c(ccc4ccccc43)cc12- InChIKey
FWAPVMXIDHLCEZ-UHFFFAOYSA-N- Molecular formula
- C25H26
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.20345083
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 8-HEPTYL-
- IUPAC
- 8-heptylbenzo[a]anthracene
Names & synonyms
BENZ(a)ANTHRACENE, 8-HEPTYL-8-Heptylbenz(a)anthracene63019-32-93J1QYH66BF8-heptyltetrapheneBRN 33042385-n-Heptylbenz(1:2)benzanthraceneUNII-3J1QYH66BF3-05-00-02446 (Beilstein Handbook Reference)DTXSID60212263
Database identifiers
- CAS
63019-32-9- PubChem CID
- 44282
- DTXSID
DTXSID60212263- UNII
- 3J1QYH66BF
- Nikkaji
- J73.223K
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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