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· · COA & SDS disponible pour chaque produit · Expédition le jour même sur les articles en stock PHTHALIDENEACETIC ACID , CAS No.4743-57-1
Synonyms
2-(3-Oxoisobenzofuran-1(3H)-ylidene)acetic acid | 3-Oxo-Delta1, beta-phthalanacetic acid | CCG-40882 | 2-[(1Z)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]acetic acid | delta(sup 1,alpha)-Phthalanacetic acid, 3-oxo- | (2Z)-2-(3-oxidanylidene-2-benzofuran-1-y
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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 Synonymes
2-(3-Oxoisobenzofuran-1(3H)-ylidene)acetic acid | 3-Oxo-Delta1, beta-phthalanacetic acid | CCG-40882 | 2-[(1Z)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]acetic acid | delta(sup 1,alpha)-Phthalanacetic acid, 3-oxo- | (2Z)-2-(3-oxidanylidene-2-benzofuran-1-y
Conditions de stockage de stockage
Room temperature
Noms et identifiants Sourires canoniques C1=CC=C2C(=C1)C(=CC(=O)O)OC2=O IUPAC Name (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid InChIKey XKMGDVJBAWUUDZ-YVMONPNESA-N INCHI 1S/C10H6O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-5H,(H,11,12)/b8-5- Isomères SMILES C1=CC=C2C(=C1)/C(=C/C(=O)O)/OC2=O PubChem CID 736767 Poids moléculaire 190.157
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 Organoheterocyclic compounds Classe Isocoumarans Subclass Isobenzofuranones Intermediate Tree Nodes Not available Direct Parent Isobenzofuranones Alternative Parents Dicarboxylic acids and derivatives Benzenoids Enol esters Lactones Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Isobenzofuranone - Benzenoid - Dicarboxylic acid or derivatives - Enol ester - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as isobenzofuranones. These are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position. 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.
Structure 3D Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Poids moléculaire 190.150 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 190.027 Da Monoisotopic Mass 190.027 Da Topological Polar Surface Area 63.600 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 305.000 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
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