for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Canonical Smiles | CC(C)N1C2=CC=CC=C2C(=C1C=CC(=O)CC(CC(=O)O)O)C3=CC=C(C=C3)F |
|---|---|
| IUPAC Name | (E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-hydroxy-5-oxohept-6-enoic acid |
| InChIKey | FSIBOMHNSMFWBF-VAWYXSNFSA-N |
| INCHI | 1S/C24H24FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,19,28H,13-14H2,1-2H3,(H,29,30)/b12-11+ |
| Isomeric SMILES | CC(C)N1C2=CC=CC=C2C(=C1/C=C/C(=O)CC(CC(=O)O)O)C3=CC=C(C=C3)F |
| PubChem CID | 23112881 |
| Molecular Weight | 409.45 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | N-alkylindoles Medium-chain hydroxy acids and derivatives Indoles Medium-chain fatty acids b'-hydroxy-alpha,beta-unsaturated ketones Beta hydroxy acids and derivatives Fluorobenzenes Halogenated fatty acids Hydroxy fatty acids Heterocyclic fatty acids Unsaturated fatty acids Aryl fluorides Beta-hydroxy ketones Acryloyl compounds Enones Heteroaromatic compounds Secondary alcohols Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-phenylpyrrole - N-alkylindole - Indole - Indole or derivatives - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Fluorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - B'-hydroxy-alpha,beta-unsaturated-ketone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Beta-hydroxy ketone - Hydroxy acid - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Heteroaromatic compound - Ketone - Secondary alcohol - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 409.400 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 409.169 Da |
| Monoisotopic Mass | 409.169 Da |
| Topological Polar Surface Area | 79.500 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 629.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
