Basic information
- CAS
92341-23-6- Standard SMILES
CC(=O)Oc1ccc(C#CC#Cc2ccc(OC(C)=O)cc2)cc1- InChIKey
FORJWTANJSWIHA-UHFFFAOYSA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920892
Names & identifiers
- Preferred name
- 4,4'-Diethanoyloxydiphenyldiacetylene
- IUPAC
- [4-[4-(4-acetyloxyphenyl)buta-1,3-diynyl]phenyl] acetate
Names & synonyms
4,4'-Diethanoyloxydiphenyldiacetylene92341-23-6DTXSID70238974(Buta-1,3-diyne-1,4-diyl)di(4,1-phenylene) diacetatePhenol, 4,4'-(1,3-butadiyne-1,4-diyl)bis-, diacetate
Database identifiers
- CAS
92341-23-6- PubChem CID
- 145236
- DTXSID
DTXSID70238974
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 524
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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