3-(1,3-Benzodioxol-4-yl)-1-propen-1-ol acetate
[(E)-3-(1,3-benzodioxol-4-yl)prop-1-enyl] acetate
Also Known As: 3'-Acetoxyisosafrole|3-(1,3-Benzodioxol-4-yl)-1-propen-1-ol acetate|1-Propen-1-ol, 3-(1,3-benzodioxol-4-yl)-, acetate|[(E)-3-(1,3-benzodioxol-4-yl)prop-1-enyl] acetate
CAS: 40581-86-0
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07356 g/mol |
| LogP | 2.0346 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07356 |
| Monoisotopic Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 423.02698 |
Chemical Identifiers
| CAS Number | 40581-86-0 |
|---|---|
| SMILES | CC(=O)O/C=C/CC1=C2C(=CC=C1)OCO2 |
Product Overview
3-(1,3-Benzodioxol-4-yl)-1-propen-1-ol acetate (CAS 40581-86-0), with molecular formula C12H12O4 and molecular weight 220.07356 g/mol. IUPAC: [(E)-3-(1,3-benzodioxol-4-yl)prop-1-enyl] acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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3-(1,3-Benzodioxol-4-yl)-1-propen-1-ol acetate is a custom synthesis product. We offer services from milligram to kilogram scale.
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