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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,4,6-cycloheptatrien-1-one, 2,3-dihydroxy-5-(1-methylethyl)- - ≥97% , CAS No.29346-20-1
Synonyms
2,4,6-Cycloheptatrien-1-one, 2,3-dihydroxy-5-(1-methylethyl)- | UW241P2H16 | NSC 18806 | 2,3-Dihydroxy-5-(1-methylethyl)-2,4,6-cycloheptatrien-1-one | 2,4,6-Cycloheptatrien-1-one, 2,7-dihydroxy-4-(1-methylethyl)- (9CI) | 2,7-Dihydroxy-4-(Propan-2-Yl)cyclo
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Why this grade ≥97% 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 Synonyms
2, 4, 6-Cycloheptatrien-1-one, 2, 3-dihydroxy-5-(1-methylethyl)- | UW241P2H16 | NSC 18806 | 2, 3-Dihydroxy-5-(1-methylethyl)-2, 4, 6-cycloheptatrien-1-one | 2, 4, 6-Cycloheptatrien-1-one, 2, 7-dihydroxy-4-(1-methylethyl)- (9CI) | 2, 7-Dihydroxy-4-(Propan-2-Yl)cyclo
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC(C)C1=CC(=O)C(=C(C=C1)O)O IUPAC Name 2,3-dihydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one InChIKey HVGNSPLLPQWYGC-UHFFFAOYSA-N INCHI 1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13) Isomeric SMILES CC(C)C1=CC(=O)C(=C(C=C1)O)O Molecular Weight 180.203 Reaxy-Rn 25798044 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25798044&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 Hydrocarbon derivatives Class Tropones Subclass Tropolones Intermediate Tree Nodes Not available Direct Parent Tropolones Alternative Parents Vinylogous acids Cyclic ketones Organic oxides Molecular Framework Aromatic homomonocyclic compounds Substituents Tropolone - Vinylogous acid - Cyclic ketone - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as tropolones. These are compounds containing tropone ring with a hydroxyl group at ring position 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.
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 180.200 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 180.079 Da Monoisotopic Mass 180.079 Da Topological Polar Surface Area 57.500 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 319.000 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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