≥98 atom% D,≥99%, stabilized with hydroquinone for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| 정식 스마일 | CC(=C)C(=O)OC |
|---|---|
| IUPAC Name | methyl 3,3-dideuterio-2-(trideuteriomethyl)prop-2-enoate |
| InChIKey | VVQNEPGJFQJSBK-KPAILUHGSA-N |
| INCHI | 1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3/i1D2,2D3 |
| 이성체 SMILES | [2H]C(=C(C(=O)OC)C([2H])([2H])[2H])[2H] |
| UN 번호 | 1247 |
| 분자량 | 105.15 |
| Reaxy-Rn | 605459 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605459&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 |
| 분류 | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters |
| Direct Parent | Enoate esters |
| Alternative Parents | Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Enoate ester - Methyl ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position. |
| External Descriptors | Not available |
| 굴절률 | n20/D 1.413 (lit.) |
|---|---|
| 발화점(°F) | 50.0 °F - closed cup |
| 발화점(°C) | 10 °C - closed cup |
| 끓는점(°C) | 100℃ (lit.) |
| 녹는점(°C) | −48℃ (lit.) |
| 분자량 | 105.150 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 105.084 Da |
| Monoisotopic Mass | 105.084 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 94.300 |
| Isotope Atom Count | 5 |
| 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 |
