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Methyl 4-(dimethoxyphosphoryl)but-2-enoate - ≥95% , CAS No.86120-40-3
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
| Canonical Smiles | COC(=O)/C=C/CP(=O)(OC)OC |
|---|---|
| IUPAC Name | methyl (E)-4-dimethoxyphosphorylbut-2-enoate |
| InChIKey | PESRINKNQQZURC-SNAWJCMRSA-N |
| INCHI | 1S/C7H13O5P/c1-10-7(8)5-4-6-13(9,11-2)12-3/h4-5H,6H2,1-3H3/b5-4+ |
| Molecular Weight | 208.15 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
- Class Fatty Acyls
- Subclass Fatty acid esters
- Class Fatty Acyls
- Superclass Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Dialkyl alkylphosphonates Phosphonic acid esters Methyl esters Enoate esters Monocarboxylic acids and derivatives Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Phosphonic acid diester - Dialkyl alkylphosphonate - Phosphonic acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Organophosphonic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organophosphorus compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 208.150 g/mol |
|---|---|
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 208.05 Da |
| Monoisotopic Mass | 208.05 Da |
| Topological Polar Surface Area | 61.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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