![3-[(4-isopropylanilino)methylene]-6-methyl-2H-pyran-2,4(3H)-dione - ≥90% , CAS No.477859-28-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
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3-[(4-isopropylanilino)methylene]-6-methyl-2H-pyran-2,4(3H)-dione - ≥90% , CAS No.477859-28-2
AVAILABLE TO ORDER
GRADE & PURITY ≥90%
Storage
Room temperature
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Why this grade
≥90% 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
≥90%
Storage
Room temperature
Purity
≥90%
Names and Identifiers
| Canonical Smiles | CC1=CC(=C(C(=O)O1)C=NC2=CC=C(C=C2)C(C)C)O |
|---|---|
| IUPAC Name | 4-hydroxy-6-methyl-3-[(4-propan-2-ylphenyl)iminomethyl]pyran-2-one |
| InChIKey | ABQPXLAXPNKRDH-UHFFFAOYSA-N |
| INCHI | 1S/C16H17NO3/c1-10(2)12-4-6-13(7-5-12)17-9-14-15(18)8-11(3)20-16(14)19/h4-10,18H,1-3H3 |
| Isomeric SMILES | CC1=CC(=C(C(=O)O1)C=NC2=CC=C(C=C2)C(C)C)O |
| PubChem CID | 135420867 |
| Molecular Weight | 271.32 |
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
| Molecular Weight | 271.310 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 271.121 Da |
| Monoisotopic Mass | 271.121 Da |
| Topological Polar Surface Area | 58.900 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 466.000 |
| 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 |
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