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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items phthalide-6-carboxylic acid - ≥97% , CAS No.4743-61-7
Synonyms
EN300-233868 | SB18624 | P12816 | MFCD20655493 | 3-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid | VUBKPUVOSWVXMI-UHFFFAOYSA-N | 1,3-Dihydro-3-oxo-5-isobenzofurancarboxylic acid | AKOS027254568 | DTXSID301235526 | 3-Oxo-1,3-dihydroisobenzofuran-5-carboxy
Storage
Store at 2-8°C,Desiccated
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Desiccated 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 Sinónimos
EN300-233868 | SB18624 | P12816 | MFCD20655493 | 3-Oxo-1, 3-dihydroisobenzofuran-5-carboxylic acid | VUBKPUVOSWVXMI-UHFFFAOYSA-N | 1, 3-Dihydro-3-oxo-5-isobenzofurancarboxylic acid | AKOS027254568 | DTXSID301235526 | 3-Oxo-1, 3-dihydroisobenzofuran-5-carboxy
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Desiccated
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas C1C2=C(C=C(C=C2)C(=O)O)C(=O)O1 IUPAC Name 3-oxo-1H-2-benzofuran-5-carboxylic acid InChIKey VUBKPUVOSWVXMI-UHFFFAOYSA-N INCHI 1S/C9H6O4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3H,4H2,(H,10,11) Isómeros SMILES C1C2=C(C=C(C=C2)C(=O)O)C(=O)O1 Peso molecular 178.14
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 Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Phthalic acid and derivatives Direct Parent M-phthalic acid and derivatives Alternative Parents Phthalides Lactones Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Meta_phthalic_acid - Isobenzofuranone - Phthalide - Isocoumaran - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2. 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 178.140 g/mol XLogP3 0.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 178.027 Da Monoisotopic Mass 178.027 Da Topological Polar Surface Area 63.600 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 248.000 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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