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· · COA & SDS available for every product · Same-day shipping on in-stock items IAA-94 - Moligand™ , CAS No.53108-00-2
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid | BCP32714 | GTPL4217 | MFCD01672016 | BRN 1893792 | IAA-94 | (+)-[(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1-H-inden-5-yl)oxy]acetic acid | (+)[(6,7-dic
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
2-[(6, 7-dichloro-2-cyclopentyl-2-methyl-1-oxo-2, 3-dihydro-1H-inden-5-yl)oxy]acetic acid | BCP32714 | GTPL4217 | MFCD01672016 | BRN 1893792 | IAA-94 | (+)-[(6, 7-dichloro-2-cyclopentyl-2, 3-dihydro-2-methyl-1-oxo-1-H-inden-5-yl)oxy]acetic acid | (+)[(6, 7-dic
Specifications & Purity
Moligand™
Names and Identifiers Canonical Smiles OC(=O)COc1cc2CC(C(=O)c2c(c1Cl)Cl)(C)C1CCCC1 IUPAC Name 2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid InChIKey RNOJGTHBMJBOSP-UHFFFAOYSA-N INCHI 1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21) Isomeric SMILES CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3 PubChem CID 3667
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 → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Indanes Subclass Indanones Intermediate Tree Nodes Not available Direct Parent Indanones Alternative Parents Phenoxyacetic acid derivatives Aryl alkyl ketones Alkyl aryl ethers Aryl chlorides Vinylogous halides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homopolycyclic compounds Substituents Phenoxyacetate - Indanone - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl chloride - Aryl halide - Vinylogous halide - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 357.200 g/mol XLogP3 5.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 356.058 Da Monoisotopic Mass 356.058 Da Topological Polar Surface Area 63.600 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 491.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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