≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light 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.
| Sonrisas canónicas | CC(=O)OC1=C(C=C(C=C1)CC#N)OC |
|---|---|
| IUPAC Name | [4-(cyanomethyl)-2-methoxyphenyl] acetate |
| InChIKey | DEEQADZOQLBLMP-UHFFFAOYSA-N |
| INCHI | 1S/C11H11NO3/c1-8(13)15-10-4-3-9(5-6-12)7-11(10)14-2/h3-4,7H,5H2,1-2H3 |
| Isómeros SMILES | CC(=O)OC1=C(C=C(C=C1)CC#N)OC |
| CAS alternativo | 5438-51-7 |
| Número NSC | 16695 |
| Peso molecular | 205.21 |
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 | Phenol esters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol esters |
| Alternative Parents | Benzyl cyanides Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenol ester - Benzyl-cyanide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. |
| External Descriptors | Not available |
| Peso molecular | 205.210 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 205.074 Da |
| Monoisotopic Mass | 205.074 Da |
| Topological Polar Surface Area | 59.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 268.000 |
| 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 |
