4,4'-Oxybis(ethynylbenzene)
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Basic information
- CAS
21368-80-9- Standard SMILES
C#Cc1ccc(Oc2ccc(C#C)cc2)cc1- InChIKey
XNNLEMUSWLWGMY-UHFFFAOYSA-N- Molecular formula
- C16H10O
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.07316494
Names & identifiers
- Preferred name
- 4,4'-Oxybis(ethynylbenzene)
- IUPAC
- 1-ethynyl-4-(4-ethynylphenoxy)benzene
- English name
- 4-Ethynylphenyl ether
- Molecular formula
- C16H10O
- Molecular weight
- 218.25
Names & synonyms
4,4'-Oxybis(ethynylbenzene)21368-80-9DTXSID20434904RefChem:284657DTXCID703857301-ethynyl-4-(4-ethynylphenoxy)benzene4-ETHYNYLPHENYL ETHER4,4'-diethynyldiphenyl etherSCHEMBL21879231,1'-Oxybis(4-ethynylbenzene)AKOS016003220CS-0435939
Show more names
4,4-DIETHYNYLDIPHENYL ETHERBenzene, 1,1'-oxybis[4-ethynyl-
Database identifiers
- CAS
21368-80-9- PubChem CID
- 10059232
- DTXSID
DTXSID20434904- Nikkaji
- J735.689G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 77 · 77-77.5 °C
- Boiling point
- 316.5 · 316.5±27.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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