Cyanobacterin
3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-[(4-methoxyphenyl)methylidene]-4-propan-2-yloxolan-2-one
Also Known As: Cyanobacterin|3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-[(4-methoxyphenyl)methylidene]-4-propan-2-yloxolan-2-one
CAS: 80902-00-7
| Molecular Formula | C23H23ClO6 |
|---|---|
| Molecular Weight | 430.11832 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.11832 |
| Monoisotopic Mass | 430.11832 |
| Heavy Atoms | 30 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 80902-00-7 |
|---|---|
| SMILES | CC(C)C1(C(C(=O)OC1=CC2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)Cl)OCO4)O |
| InChIKey | YYPUQBCQRSMSKU-UHFFFAOYSA-N |
Product Overview
Cyanobacterin (CAS 80902-00-7), with molecular formula C23H23ClO6 and molecular weight 430.11832 g/mol. IUPAC: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-[(4-methoxyphenyl)methylidene]-4-propan-2-yloxolan-2-one.
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.
View MSDS →
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