≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Homovanillic Acid Sulfate Sodium Salt is a metabolite of Dihydroxyphenylacetic Acid (DOPAC) by catechol O-methyltransferase.
| Canonical Smiles | COC1=C(C=CC(=C1)CC(=O)O)OS(=O)(=O)O |
|---|---|
| IUPAC Name | 2-(3-methoxy-4-sulfooxyphenyl)acetic acid |
| InChIKey | IACOAKYXFIWAQN-UHFFFAOYSA-N |
| INCHI | 1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14) |
| Isomeric SMILES | COC1=C(C=CC(=C1)CC(=O)O)OS(=O)(=O)O |
| Molecular Weight | 260.22（free basis |
| Reaxy-Rn | 20089221 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20089221&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfuric acids and derivatives |
| Subclass | Arylsulfates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylsulfates |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Sulfuric acid monoesters Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylsulfate - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylsulfates. These are compounds containing a sulfuric acid group conjugated to a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2427235 | Certificate of Analysis | Jun 17, 2024 | H338887 |
| Solubility | Soluble in Methanol and Water |
|---|---|
| Sensitivity | Hygroscopic |
| Melt Point(°C) | 170-174° C |
| Molecular Weight | 262.240 g/mol |
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 262.015 Da |
| Monoisotopic Mass | 262.015 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 358.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
