≥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 | CC(C)C1=C2C=C(C=C(C2=CC(=C1OC)OC)OC)C(=O)OC |
|---|---|
| IUPAC Name | methyl 4,6,7-trimethoxy-8-propan-2-ylnaphthalene-2-carboxylate |
| InChIKey | GSTMRVNEXXLECT-UHFFFAOYSA-N |
| INCHI | 1S/C18H22O5/c1-10(2)16-13-7-11(18(19)23-6)8-14(20-3)12(13)9-15(21-4)17(16)22-5/h7-10H,1-6H3 |
| Isomeric SMILES | CC(C)C1=C2C=C(C=C(C2=CC(=C1OC)OC)OC)C(=O)OC |
| PubChem CID | 10870853 |
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 | M-methoxybenzoic acids and derivatives Cumenes Anisoles Alkyl aryl ethers Methyl esters Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthalenecarboxylic acid - M-methoxybenzoic acid or derivatives - Cumene - Phenol ether - Anisole - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Ether - 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 | 318.400 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 318.147 Da |
| Monoisotopic Mass | 318.147 Da |
| Topological Polar Surface Area | 54.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 397.000 |
| 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 |
