Basic information
- CAS
78053-58-4- Standard SMILES
C#Cc1cccc2cc3cccc(C#C)c3cc12- InChIKey
DAVBVBBKKWZYOO-UHFFFAOYSA-N- Molecular formula
- C18H10
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.07825032
Names & identifiers
- Preferred name
- 1,8-Diethynylanthracene
- IUPAC
- 1,8-diethynylanthracene
Names & synonyms
1,8-DiethynylanthraceneAnthracene, 1,8-diethynyl-78053-58-41,8-Diethynylanthracene #SCHEMBL9928987DAVBVBBKKWZYOO-UHFFFAOYSA-DTXSID90346762DAVBVBBKKWZYOO-UHFFFAOYSA-NInChI=1/C18H10/c1-3-13-7-5-9-15-11-16-10-6-8-14(4-2)18(16)12-17(13)15/h1-2,5-12H
Database identifiers
- CAS
78053-58-4- PubChem CID
- 614705
- DTXSID
DTXSID90346762- Nikkaji
- J806.548I
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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