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· · COA & SDS available for every product · Same-day shipping on in-stock items 2H-1-Benzopyran-2-one, 3,3'-((4-methoxyphenyl)methylene)bis(4-hydroxy- , CAS No.10172-75-5
Synonyms
2H-1-Benzopyran-2-one, 3,3'-((4-methoxyphenyl)methylene)bis(4-hydroxy- | NSC373952 | NSC 373952 | 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(4-methoxyphenyl)methyl]chromen-2-one | 2H-1-Benzopyran-2-one,3,3'-[(4-methoxyphenyl)methylene]bis[4-hydroxy- | 2H
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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 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
2H-1-Benzopyran-2-one, 3, 3'-((4-methoxyphenyl)methylene)bis(4-hydroxy- | NSC373952 | NSC 373952 | 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(4-methoxyphenyl)methyl]chromen-2-one | 2H-1-Benzopyran-2-one, 3, 3'-[(4-methoxyphenyl)methylene]bis[4-hydroxy- | 2H
Product Properties Names and Identifiers Canonical Smiles COC1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O IUPAC Name 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(4-methoxyphenyl)methyl]chromen-2-one InChIKey CMEFNVYVKZNNGL-UHFFFAOYSA-N INCHI 1S/C26H18O7/c1-31-15-12-10-14(11-13-15)20(21-23(27)16-6-2-4-8-18(16)32-25(21)29)22-24(28)17-7-3-5-9-19(17)33-26(22)30/h2-13,20,27-28H,1H3 Isomeric SMILES COC1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O PubChem CID 54676523 Molecular Weight 442.4
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 Phenylpropanoids and polyketides Class Coumarins and derivatives Subclass Hydroxycoumarins Intermediate Tree Nodes Not available Direct Parent 4-hydroxycoumarins Alternative Parents 1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 4-hydroxycoumarin - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Monocyclic benzene moiety - Vinylogous acid - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Ether - Oxacycle - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton. 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 442.400 g/mol XLogP3 4.000 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 4 Exact Mass 442.105 Da Monoisotopic Mass 442.105 Da Topological Polar Surface Area 102.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 793.000 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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