3-(1,3-Benzodioxol-5-yl)-1-propen-1-ol acetate (CAS 42461-90-5) — formula C12H12O4, molecular weight 220.22; category organic chemicals.
| CAS Number | 42461-90-5 |
|---|---|
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.22 |
| LogP | 2.4 |
| Category | Organic Chemicals |
3-(1,3-Benzodioxol-5-yl)-1-propen-1-ol acetate is a carbon-based organic compound with CAS registry number 42461-90-5 and molecular formula C12H12O4 (molecular weight 220.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 42461-90-5
Its molecular formula C12H12O4 comprises 12 C, 12 H, 4 O atoms.
Also known as: 3-(1,3-Benzodioxol-5-yl)-1-propen-1-ol acetate · 3-(1,3-苯并二氧杂环己烷-5-基)-1-丙烯-1-醇乙酸酯
Category: organic chemicals
The CAS registry number of 3-(1,3-Benzodioxol-5-yl)-1-propen-1-ol acetate is 42461-90-5.
Molecular formula C12H12O4, molecular weight 220.22.
It is also registered under: 3-(1,3-Benzodioxol-5-yl)-1-propen-1-ol acetate, 3-(1,3-苯并二氧杂环己烷-5-基)-1-丙烯-1-醇乙酸酯.
Category: Organic Chemicals.
Independent reference data for 3-(1,3-Benzodioxol-5-yl)-1-propen-1-ol acetate (CAS 42461-90-5), compiled from public chemistry databases.
| CAS 号 | 42461-90-5 |
|---|---|
| PubChem CID | 6440042 |
| 分子式 | C12H12O4 |
| IUPAC 名称 | [(E)-3-(1,3-benzodioxol-5-yl)prop-1-enyl] acetate |
| Molecular Weight | 220.22 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 220.07355886 |
| Monoisotopic Mass | 220.07355886 |
| Topological Polar Surface Area | 44.8 |
| Heavy Atom Count | 16 |
3'-Acetoxysafrole; 42461-90-5; 3'-Acetoxy-safrole; CCRIS 733; Acetic acid, 1,3-benzodioxol-5-yl allyl ester; 1-Propen-1-ol, 3-(1,3-benzodioxol-5-yl)-, acetate
3-(1,3-苯并二氧杂环己烷-5-基)-1-丙烯-1-醇乙酸酯 · CAS 42461-90-5 · C12H12O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.