Vanillic acid 4-sulfate
3-methoxy-4-sulfooxybenzoic acid
Also Known As: Vanillic acid 4-sulfate|vanillic acid sulfate|Vanillic acid 4-O-sulfate|3-methoxy-4-sulfooxybenzoic acid|3-methoxy-4-(sulfooxy)benzoic acid|Vanillic acid 4-sulfuric acid|Benzoic acid, 3-methoxy-4-(sulfooxy)-|3-methoxy-4-sulfooxy-benzoic acid|NCI60_024970|J3.488.357B
CAS: 71235-86-4
| Molecular Formula | C8H8O7S |
|---|---|
| Molecular Weight | 247.99907 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.99907 |
| Monoisotopic Mass | 247.99907 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 71235-86-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)O)OS(=O)(=O)O |
| InChIKey | TXRKUXPAEPOCIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (3 patents)
Coatings & Adhesives (2 patents)
Product Overview
Vanillic acid 4-sulfate (CAS 71235-86-4), with molecular formula C8H8O7S and molecular weight 247.99907 g/mol. IUPAC: 3-methoxy-4-sulfooxybenzoic acid.
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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