≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
| Canonical Smiles | COC1=C(C=C(C(=C1)C(=O)O)O)OC |
|---|---|
| IUPAC Name | 2-hydroxy-4,5-dimethoxybenzoic acid |
| InChIKey | RUBXSZYVSFYJQR-UHFFFAOYSA-N |
| INCHI | 1S/C9H10O5/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4,10H,1-2H3,(H,11,12) |
| Isomeric SMILES | COC1=C(C=C(C(=C1)C(=O)O)O)OC |
| PubChem CID | 11564650 |
| Molecular Weight | 198.18 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Methoxybenzoic acids and derivatives |
| Direct Parent | P-methoxybenzoic acids and derivatives |
| Alternative Parents | M-methoxybenzoic acids and derivatives Salicylic acids Methoxyphenols Dimethoxybenzenes Benzoic acids 4-alkoxyphenols Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Hydroxybenzoic acid - Methoxyphenol - Salicylic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Salicylic acid - Benzoic acid - 4-alkoxyphenol - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Vinylogous acid - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. |
| External Descriptors | Not available |
| Molecular Weight | 198.170 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 198.053 Da |
| Monoisotopic Mass | 198.053 Da |
| Topological Polar Surface Area | 76.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| 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 |
