Determine the necessary mass, volume, or concentration for preparing a solution.
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Canonical Smiles | CC1=NC(=CC2=CC=C(C=C2)C(=O)O)C(=C1C(=O)OC)O |
|---|---|
| IUPAC Name | 4-[(E)-(3-hydroxy-4-methoxycarbonyl-5-methylpyrrol-2-ylidene)methyl]benzoic acid |
| InChIKey | IBNJQHHCDWMJFO-YRNVUSSQSA-N |
| INCHI | 1S/C15H13NO5/c1-8-12(15(20)21-2)13(17)11(16-8)7-9-3-5-10(6-4-9)14(18)19/h3-7,17H,1-2H3,(H,18,19)/b11-7+ |
| PubChem CID | 135493046 |
| Molecular Weight | 287.27 |
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 →| Molecular Weight | 287.270 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 287.079 Da |
| Monoisotopic Mass | 287.079 Da |
| Topological Polar Surface Area | 96.200 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 550.000 |
| 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 |