6-[(4-Methoxy-2-oxo-2,5-dihydro-3-furanyl)(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-YL acetate
Basic information
- CAS
183294-57-7- Standard SMILES
COC1=C(C(c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2OC(C)=O)OCO3)C(=O)OC1- InChIKey
QYKPDLUYHMWCBG-UHFFFAOYSA-N- Molecular formula
- C24H24O10
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 472.13694696
Names & identifiers
- Preferred name
- 6-[(4-Methoxy-2-oxo-2,5-dihydro-3-furanyl)(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-YL acetate
- IUPAC
- [6-[(3-methoxy-5-oxo-2H-furan-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-yl] acetate
- English name
- 6-[(4-Methoxy-2-oxo-2,5-dihydro-3-furanyl)(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-yl acetate
- Molecular formula
- C24H24O10
- Molecular weight
- 472.44
Names & synonyms
AKOS0244194236-[(4-METHOXY-2-OXO-2,5-DIHYDRO-3-FURANYL)(3,4,5-TRIMETHOXYPHENYL)METHYL]-1,3-BENZODIOXOL-5-YL ACETATE2(5H)-Furanone, 3-[[6-(acetyloxy)-1,3-benzodioxol-5-yl](3,4,5-trimethoxyphenyl)methyl]-4-methoxy-
Database identifiers
- CAS
183294-57-7- PubChem CID
- 3960010
- EC Number
- 104-158-2
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 768
Physicochemical properties
- Boiling point
- 651.278 · 651.278±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.384 · 1.384±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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