Yerrinquinone
methyl 4-hydroxy-1,6-dimethoxy-5,8-dioxonaphthalene-2-carboxylate
Also Known As: Yerrinquinone|methyl 4-hydroxy-1,6-dimethoxy-5,8-dioxonaphthalene-2-carboxylate|Methyl 4-hydroxy-1,6-dimethoxy-5,8-dioxo-5,8-dihydro-2-naphthalenecarboxylate #|Methyl 4-hydroxy-1,6-dimethoxy-5,8-dioxo-5,8-dihydronaphthalene-2-carboxylic acid
CAS: 129308-67-4
| Molecular Formula | C14H12O7 |
|---|---|
| Molecular Weight | 292.0583 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.0583 |
| Monoisotopic Mass | 292.0583 |
| Heavy Atoms | 21 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 129308-67-4 |
|---|---|
| SMILES | COC1=CC(=O)C2=C(C(=CC(=C2C1=O)O)C(=O)OC)OC |
| InChIKey | IQNNCIUGIWEXCC-UHFFFAOYSA-N |
Product Overview
Yerrinquinone (CAS 129308-67-4), with molecular formula C14H12O7 and molecular weight 292.0583 g/mol. IUPAC: methyl 4-hydroxy-1,6-dimethoxy-5,8-dioxonaphthalene-2-carboxylate.
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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