4-[2-[(1-Oxo-2,4-hexadien-1-yl)oxy]acetyl]phenyl 2-furancarboxylate
Basic information
- CAS
669754-84-1- Standard SMILES
CC=CC=CC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1- InChIKey
AWSUDOBOZXFBDE-UHFFFAOYSA-N- Molecular formula
- C19H16O6
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.09468823
Names & identifiers
- Preferred name
- 4-[2-[(1-Oxo-2,4-hexadien-1-yl)oxy]acetyl]phenyl 2-furancarboxylate
- IUPAC
- [4-(2-hexa-2,4-dienoyloxyacetyl)phenyl] furan-2-carboxylate
Names & synonyms
DTXSID2011628974-[2-[(1-Oxo-2,4-hexadien-1-yl)oxy]acetyl]phenyl 2-furancarboxylate669754-84-14-{[(Hexa-2,4-dienoyl)oxy]acetyl}phenyl furan-2-carboxylate
Database identifiers
- CAS
669754-84-1- PubChem CID
- 5225565
- DTXSID
DTXSID201162897
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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