| Pubchem Sid | 504757152 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757152 |
| Sonrisas canónicas | COC1=CC=CC(=C1OC)CC#N |
| IUPAC Name | 2-(2,3-dimethoxyphenyl)acetonitrile |
| InChIKey | VAOKGCHIOACZHR-UHFFFAOYSA-N |
| INCHI | 1S/C10H11NO2/c1-12-9-5-3-4-8(6-7-11)10(9)13-2/h3-5H,6H2,1-2H3 |
| Isómeros SMILES | COC1=CC=CC(=C1OC)CC#N |
| Peso molecular | 177.2 |
| Reaxy-Rn | 2102086 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2102086&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 | Benzene and substituted derivatives |
| Subclass | Methoxybenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dimethoxybenzenes |
| Alternative Parents | Benzyl cyanides Phenoxy compounds Anisoles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-dimethoxybenzene - Dimethoxybenzene - Benzyl-cyanide - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 K2302323 | Certificate of Analysis | Oct 24, 2023 | D300257 |
| K2302324 | Certificate of Analysis | Oct 24, 2023 | D300257 |
| K2302325 | Certificate of Analysis | Oct 24, 2023 | D300257 |
| K2302326 | Certificate of Analysis | Oct 24, 2023 | D300257 |
| K2302327 | Certificate of Analysis | Oct 24, 2023 | D300257 |
| K2302328 | Certificate of Analysis | Oct 24, 2023 | D300257 |
| K2302329 | Certificate of Analysis | Oct 24, 2023 | D300257 |
| K2302330 | Certificate of Analysis | Oct 24, 2023 | D300257 |
| Punto de ebullición (°C) | 125°/1mm |
|---|---|
| Peso molecular | 177.200 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 177.079 Da |
| Monoisotopic Mass | 177.079 Da |
| Topological Polar Surface Area | 42.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 196.000 |
| 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 |
