Isoacoramone
1-(2,4,5-trimethoxyphenyl)propan-1-one
Also Known As: Isoacoramone|1-(2,4,5-trimethoxyphenyl)propan-1-one|Asarone Impurity 1|2,4,5-Trimethoxylproriophenone|Maybridge1_006421|2',4',5'-Trimethoxypropiophenone|1-(2,4,5-trimethoxyphenyl)-1-propanone|2,4,5-trimethoxypropiophenone|1-Propanone, 1-(2,4,5-trimethoxyphenyl)-|HMS559L19|2,4,5-TRIMETHOXYLPROPRIOPHENONE|Propiophenone, 2',4',5'-trimethoxy|Propiophenone, 2',4',5'-trimethoxy-|1-[(2,4,5-Trimethoxy)phenyl]-1-propanone|1-(2,4,5-Trimethoxyphenyl)propane-1-one|1-(2',4',5'-trimethoxyphenyl)propan-1-one|I01-6734
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10486 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.10486 |
| Monoisotopic Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 3904-18-5 |
|---|---|
| SMILES | CCC(=O)C1=CC(=C(C=C1OC)OC)OC |
| InChIKey | KUQHFNICKXWOBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoacoramone (CAS 3904-18-5), with molecular formula C12H16O4 and molecular weight 224.10486 g/mol. IUPAC: 1-(2,4,5-trimethoxyphenyl)propan-1-one.
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