≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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=CC(=C(C2=CC=CC=C21)OC)C(=O)O |
|---|---|
| IUPAC Name | 1,4-dimethoxynaphthalene-2-carboxylic acid |
| InChIKey | BGJOEOQFJYFEGG-UHFFFAOYSA-N |
| INCHI | 1S/C13H12O4/c1-16-11-7-10(13(14)15)12(17-2)9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,14,15) |
| Isomeric SMILES | COC1=CC(=C(C2=CC=CC=C21)OC)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 232.23 |
| Reaxy-Rn | 4451401 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4451401&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 | Benzenoids |
| Class | Naphthalenes |
| Subclass | Naphthalenecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenecarboxylic acids |
| Alternative Parents | O-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Anisoles Alkyl aryl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthalenecarboxylic acid - O-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Phenol ether - Anisole - Alkyl aryl ether - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 232.230 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 232.074 Da |
| Monoisotopic Mass | 232.074 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 279.000 |
| 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 |
