5-tert-butyl-1,3-benzodioxol-2-one
5-tert-butyl-1,3-benzodioxol-2-one
CAS: 54815-21-3
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 54815-21-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OC(=O)O2 |
| InChIKey | KLQJKXDFHGURBO-UHFFFAOYSA-N |
📖 Product Overview
5-tert-butyl-1,3-benzodioxol-2-one (CAS: 54815-21-3) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.21 g/mol. Its IUPAC systematic name is 5-tert-butyl-1,3-benzodioxol-2-one.
KLQJKXDFHGURBO-UHFFFAOYSA-N.
SMILES: CC(C)(C)C1=CC2=C(C=C1)OC(=O)O2.
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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📚 Academic Support
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