Basic information
- CAS
92341-24-7- Standard SMILES
CCC(=O)Oc1ccc(C#CC#Cc2ccc(OC(=O)CC)cc2)cc1- InChIKey
YLZSROSRPJTIPP-UHFFFAOYSA-N- Molecular formula
- C22H18O4
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.12050905
Names & identifiers
- Preferred name
- 4,4'-Dipropanoyloxydiphenyldiacetylene
- IUPAC
- [4-[4-(4-propanoyloxyphenyl)buta-1,3-diynyl]phenyl] propanoate
Names & synonyms
4,4'-Dipropanoyloxydiphenyldiacetylene92341-24-7DTXSID30238975(Buta-1,3-diyne-1,4-diyl)di(4,1-phenylene) dipropanoatepropanoic acid, 1,2-butadiyne-1,4-diyldi-1,4-, phenylene ester
Database identifiers
- CAS
92341-24-7- PubChem CID
- 145237
- DTXSID
DTXSID30238975
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 552
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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