≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756825 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756825 |
| Sonrisas canónicas | COC(=O)C1=CC=CC2=CC=CC=C21 |
| IUPAC Name | methyl naphthalene-1-carboxylate |
| InChIKey | HMRROBKAACRWBP-UHFFFAOYSA-N |
| INCHI | 1S/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3 |
| Isómeros SMILES | COC(=O)C1=CC=CC2=CC=CC=C21 |
| Peso molecular | 186.212 |
| Reaxy-Rn | 1868204 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1868204&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 |
| Clase | Naphthalenes |
| Subclass | Naphthalenecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenecarboxylic acids and derivatives |
| Alternative Parents | Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 1-naphthalenecarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids and derivatives. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group or a derivative at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. |
| External Descriptors | Not available |
| Punto de ebullición (°C) | 169°C/20mmHg |
|---|---|
| Peso molecular | 186.210 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 186.068 Da |
| Monoisotopic Mass | 186.068 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 212.000 |
| 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 |
| 1. Yuemei Li, Shi-Yu Guo, Hongfei Gu, Bingyu Wang, Peiwu Su, Xiuming Zhang, Haoqing Zhang, Shuping Zhang, Fanzhi Yang, Jia Liu, Qing-An Chen, Jiatao Zhang. (2025) Natural Sunlight-Driven Activation of Inert Aryl Halides Using Plasmonic Cu@CdS with Polysulfide Active Sites. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 64 (27): (e202425601). [PMID:40285501] [10.1002/anie.202425601] |
H1919025