≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504762191 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762191 |
| Canonical Smiles | COC1=C(C=C(C=C1)C(=O)OC)C#N |
| IUPAC Name | methyl 3-cyano-4-methoxybenzoate |
| InChIKey | RYJSFYBJYKFNCF-UHFFFAOYSA-N |
| INCHI | 1S/C10H9NO3/c1-13-9-4-3-7(10(12)14-2)5-8(9)6-11/h3-5H,1-2H3 |
| Isomeric SMILES | COC1=C(C=C(C=C1)C(=O)OC)C#N |
| Molecular Weight | 191.19 |
| Beilstein | 2374769 |
| Reaxy-Rn | 2374769 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2374769&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 | 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 | Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Benzonitriles Anisoles Alkyl aryl ethers Methyl esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-methoxybenzoic acid or derivatives - Benzoate ester - Phenoxy compound - Anisole - Benzonitrile - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H1615047 | Certificate of Analysis | Apr 07, 2024 | M123943 |
| L1911170 | Certificate of Analysis | Sep 11, 2023 | M123943 |
| K2201603 | Certificate of Analysis | Oct 09, 2022 | M123943 |
| K2201604 | Certificate of Analysis | Oct 09, 2022 | M123943 |
| Melt Point(°C) | 123-127°C |
|---|---|
| Molecular Weight | 191.180 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 191.058 Da |
| Monoisotopic Mass | 191.058 Da |
| Topological Polar Surface Area | 59.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 255.000 |
| 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 |
