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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(Naphthalen-1-yl)-4-oxobutanoic acid - ≥98% , CAS No.4653-13-8 🧪
Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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 Specifications & Purity
≥98%
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1=CC=C2C(=C1)C=CC=C2C(=O)CCC(=O)O IUPAC Name 4-naphthalen-1-yl-4-oxobutanoic acid InChIKey YNEXYDHOGAIPHO-UHFFFAOYSA-N INCHI 1S/C14H12O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,16,17) Isomeric SMILES C1=CC=C2C(=C1)C=CC=C2C(=O)CCC(=O)O PubChem CID 277786 Molecular Weight 228.24
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 Benzene and substituted derivatives Subclass Butyrophenones Intermediate Tree Nodes Not available Direct Parent Butyrophenones Alternative Parents Naphthalenes Gamma-keto acids and derivatives Aryl alkyl ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homopolycyclic compounds Substituents Butyrophenone - Naphthalene - Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Keto acid - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety. 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 228.240 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 228.079 Da Monoisotopic Mass 228.079 Da Topological Polar Surface Area 54.400 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 298.000 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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