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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 7-Hydroxy-2-methyl-3-phenyl-chromen-4-one , CAS No.2859-88-3
Synonyms
SCHEMBL5266910 | VS-13457 | G 31 | 4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-phenyl- | STK922905 | Oprea1_832747 | SMR000066787 | MLS001048855 | NSC108340 | NSC-108340 | 7-Hydroxy-2-methyl-3-phenyl-4H-1-benzopyran-4-one, 9CI | BBCDTCKKROIGAB-UHFFFAOYSA-
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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 Sinónimos
SCHEMBL5266910 | VS-13457 | G 31 | 4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-phenyl- | STK922905 | Oprea1_832747 | SMR000066787 | MLS001048855 | NSC108340 | NSC-108340 | 7-Hydroxy-2-methyl-3-phenyl-4H-1-benzopyran-4-one, 9CI | BBCDTCKKROIGAB-UHFFFAOYSA-
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=CC=C3 IUPAC Name 7-hydroxy-2-methyl-3-phenylchromen-4-one InChIKey BBCDTCKKROIGAB-UHFFFAOYSA-N INCHI 1S/C16H12O3/c1-10-15(11-5-3-2-4-6-11)16(18)13-8-7-12(17)9-14(13)19-10/h2-9,17H,1H3 Isómeros SMILES CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=CC=C3 Peso molecular 252.27 Reaxy-Rn 201268 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=201268&ln=
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 Clase Isoflavonoids Subclass Isoflav-2-enes Intermediate Tree Nodes Not available Direct Parent Isoflavones Alternative Parents Hydroxyisoflavonoids Chromones Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Hydroxyisoflavonoid - Isoflavone - Chromone - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. External Descriptors Isoflavonoids 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 Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 252.260 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 252.079 Da Monoisotopic Mass 252.079 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 393.000 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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