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Basic Description
| Synonyms | Ethyl hydrogen malonate | 1071-46-1 | 3-ethoxy-3-oxopropanoic acid | Monoethyl malonate | monoethyl malonic acid | mono-Ethyl malonate | Monoethyl hydrogen malonate | malonic acid monoethyl ester | (Ethoxycarbonyl)acetic acid | malonic acid monoethylester | MFCD00020490 | Prop |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Dicarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dicarboxylic acids and derivatives |
| Alternative Parents | 1,3-dicarbonyl compounds Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
| External Descriptors | aromatic carboxylic acid - pyridinemonocarboxylic acid |
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Names and Identifiers
| IUPAC Name | 3-ethoxy-3-oxopropanoic acid |
|---|---|
| INCHI | InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7) |
| InChIKey | HGINADPHJQTSKN-UHFFFAOYSA-N |
| Smiles | CCOC(=O)CC(=O)O |
| Isomeric SMILES | CCOC(=O)CC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 132.12 |
| Reaxy-Rn | 1758845 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758845&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Moisture sensitive;Heat sensitive |
|---|---|
| Refractive Index | 1.435 |
| Flash Point(°F) | 230°F |
| Flash Point(°C) | >110℃ |
| Boil Point(°C) | 106.5 °C/3 mmHg |
| Melt Point(°C) | -13 °C |
| Molecular Weight | 132.110 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 132.042 Da |
| Monoisotopic Mass | 132.042 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 118.000 |
| 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 |
Solution Calculators
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