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ethyl 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)acrylate - ≥95% , CAS No.128843-39-0
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GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships 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
Purity
≥95%
Names and Identifiers
| Canonical Smiles | CCOC(=O)C=CC1=CC(=CN1C)C(=O)C2=CC=CC=C2 |
|---|---|
| IUPAC Name | ethyl 3-(4-benzoyl-1-methylpyrrol-2-yl)prop-2-enoate |
| InChIKey | NCGLYNLNULEKEH-UHFFFAOYSA-N |
| INCHI | 1S/C17H17NO3/c1-3-21-16(19)10-9-15-11-14(12-18(15)2)17(20)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C=CC1=CC(=CN1C)C(=O)C2=CC=CC=C2 |
| PubChem CID | 2763333 |
| Molecular Weight | 283.33 |
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
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
| Melt Point(°C) | 96-98° |
|---|---|
| Molecular Weight | 283.320 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 283.121 Da |
| Monoisotopic Mass | 283.121 Da |
| Topological Polar Surface Area | 48.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 399.000 |
| 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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