Basic information
- CAS
326621-73-2- Standard SMILES
CC(=O)Oc1ccc2c(=O)cc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1- InChIKey
SKBPGKCEDAEJQS-UHFFFAOYSA-N- Molecular formula
- C21H16O8
- Average molar mass
- 396.3 g/mol
- Monoisotopic mass
- 396.08451746
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-
- IUPAC
- [2-(3,4-diacetyloxyphenyl)-4-oxochromen-7-yl] acetate
Names & synonyms
326621-73-24H-1-Benzopyran-4-one, 7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate4-(7-Acetoxy-4-oxo-4H-chromen-2-yl)-1,2-phenylene diacetateCHEMBL90758DTXSID50347573SKBPGKCEDAEJQS-UHFFFAOYSA-N7-Acetoxy-2-(3,4-diacetoxyphenyl)-4H-chromen-4-one2-(Acetyloxy)-4-[7-(acetyloxy)-4-oxo-4H-chromen-2-yl]phenyl acetate #4-[7-(Acetyloxy)-4-oxo-4H-1-benzopyran-2-yl]-1,2-phenylene diacetate
Database identifiers
- CAS
326621-73-2- PubChem CID
- 623115
- DTXSID
DTXSID50347573- ChEMBL
CHEMBL90758- Nikkaji
- J1.426.009I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 711
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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