HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 100713Generated: November 1, 2026
1-(6,7-Dimethoxy-5-propyl-1,3-benzodioxol-4-yl)ethanone
https://huagongshe.com/en/chemical/100713
Identifiers & Physical Properties
| CAS No. | 76576-60-8 |
|---|
| Molecular formula | C14H18O5 |
|---|
| Average molar mass | 266.29 g/mol |
|---|
| Monoisotopic mass | 266.11542367 g/mol |
|---|
| SMILES | CCCc1c(OC)c(OC)c2c(c1C(C)=O)OCO2 |
|---|
| InChIKey | XRKDCAXOBTYMDP-UHFFFAOYSA-N |
|---|
| PubChem CID | 100713 |
|---|
| DTXSID | DTXSID10227382 |
|---|
Chemical & Physical Properties
| XLogP | 2.7 |
|---|
| Topological polar surface area | 54 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 5 |
|---|
| Heavy atoms | 19 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 319 |
|---|
