4-{2-[(2-Methylbenzoyl)oxy]acetyl}phenyl 2-furoate
Basic information
- CAS
669739-32-6- Standard SMILES
Cc1ccccc1C(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1- InChIKey
AZWFHIVNDAVUNH-UHFFFAOYSA-N- Molecular formula
- C21H16O6
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 364.09468823
Names & identifiers
- Preferred name
- 4-{2-[(2-Methylbenzoyl)oxy]acetyl}phenyl 2-furoate
- IUPAC
- [4-[2-(2-methylbenzoyl)oxyacetyl]phenyl] furan-2-carboxylate
Names & synonyms
669739-32-64-{2-[(2-methylbenzoyl)oxy]acetyl}phenyl 2-furoate4-[2-[(2-Methylbenzoyl)oxy]acetyl]phenyl 2-furancarboxylate[4-[2-(2-methylbenzoyl)oxyacetyl]phenyl] furan-2-carboxylateDTXSID501187274STK258237AKOS003324034AK-918/419682434-{[(2-Methylbenzoyl)oxy]acetyl}phenyl furan-2-carboxylate4-({[(2-methylphenyl)carbonyl]oxy}acetyl)phenyl furan-2-carboxylate
Database identifiers
- CAS
669739-32-6- PubChem CID
- 4332397
- DTXSID
DTXSID501187274
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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