≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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=C1F)C(=O)OC)O |
|---|---|
| IUPAC Name | methyl 3-fluoro-5-hydroxy-4-methoxybenzoate |
| InChIKey | UNMSFZXTTMKBRY-UHFFFAOYSA-N |
| INCHI | 1S/C9H9FO4/c1-13-8-6(10)3-5(4-7(8)11)9(12)14-2/h3-4,11H,1-2H3 |
| Isomeric SMILES | COC1=C(C=C(C=C1F)C(=O)OC)O |
| PubChem CID | 45115824 |
| Molecular Weight | 200.16 |
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-Hydroxybenzoic acid esters 3-halobenzoic acids and derivatives Methoxyphenols Phenoxy compounds Methoxybenzenes M-fluorophenols Benzoyl derivatives Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fluorobenzenes Aryl fluorides Methyl esters Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-hydroxybenzoic acid ester - P-methoxybenzoic acid or derivatives - Methoxyphenol - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halophenol - 3-fluorophenol - Phenoxy compound - Benzoyl - Phenol ether - Anisole - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Phenol - Alkyl aryl ether - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - Aryl halide - Aryl fluoride - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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 | 200.160 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 200.048 Da |
| Monoisotopic Mass | 200.048 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| 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 |
