9,10-Diethynylanthracene
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Basic information
- CAS
18512-55-5- Standard SMILES
C#Cc1c2ccccc2c(C#C)c2ccccc12- InChIKey
IIPDKVKBZNLDMD-UHFFFAOYSA-N- Molecular formula
- C18H10
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.07825032
Names & identifiers
- Preferred name
- 9,10-Diethynylanthracene
- IUPAC
- 9,10-diethynylanthracene
- English name
- 9,10-DiethynylAnthracene
- Molecular formula
- C18H10
- Molecular weight
- 226.27
Names & synonyms
9,10-diethynylanthracene18512-55-5MFCD06796424SCHEMBL1478052SCHEMBL29870054AKOS040767311BS-46109CS-0110550E74774F612535Anthracene, 9,10-diethynyl-
Database identifiers
- CAS
18512-55-5- PubChem CID
- 12978014
- Nikkaji
- J814.991G
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 107 °C · 107 °C
- Boiling point
- 415.4 · 415.4±18.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Brown to reddish brown Solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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