| Pubchem Sid | 504761044 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761044 |
| Sonrisas canónicas | CCOC(=O)CC(CC#N)O |
| IUPAC Name | ethyl (3R)-4-cyano-3-hydroxybutanoate |
| InChIKey | LOQFROBMBSKWQY-ZCFIWIBFSA-N |
| INCHI | 1S/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m1/s1 |
| Isómeros SMILES | CCOC(=O)C[C@@H](CC#N)O |
| WGK Alemania | 1 |
| CAS alternativo | 312745-91-8 |
| Peso molecular | 157.17 |
| Beilstein | 1764513 |
| Reaxy-Rn | 1764513 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1764513&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 | Organic acids and derivatives |
| Clase | Hydroxy acids and derivatives |
| Subclass | Beta hydroxy acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Beta hydroxy acids and derivatives |
| Alternative Parents | Fatty acid esters Secondary alcohols Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. |
| 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 |
|---|---|---|---|
 K2123240 | Certificate of Analysis | Sep 19, 2025 | E121627 |
| K2123241 | Certificate of Analysis | Sep 19, 2025 | E121627 |
| J2028125 | Certificate of Analysis | Aug 20, 2024 | E121627 |
| J2028126 | Certificate of Analysis | Aug 20, 2024 | E121627 |
| Índice de refracción | 1.448 |
|---|---|
| Rotación específica [α] | -5°, neat |
| Punto de inflamación (°F) | 235.4 °F |
| Punto de inflamación (°C) | >110°(230°F) |
| Punto de ebullición (°C) | 270°C |
| Peso molecular | 157.170 g/mol |
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 157.074 Da |
| Monoisotopic Mass | 157.074 Da |
| Topological Polar Surface Area | 70.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 170.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
