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· · COA & SDS available for every product · Same-day shipping on in-stock items benzyl 3-oxocyclobutane-1-carboxylate - ≥97% , CAS No.198995-91-4
Synonyms
AS-31636 | SY011053 | Cyclobutanecarboxylic acid, 3-oxo-, phenylmethyl ester | Benzyl 3-Oxocyclobutanecarboxylate | 3-oxocyclobutanecarboxylic acid benzyl ester | 3-OXO-CYCLOBUTANECARBOXYLIC ACID BENZYL ESTER | benzyl?3-oxocyclobutanecarboxylate | MFCD118
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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
AS-31636 | SY011053 | Cyclobutanecarboxylic acid, 3-oxo-, phenylmethyl ester | Benzyl 3-Oxocyclobutanecarboxylate | 3-oxocyclobutanecarboxylic acid benzyl ester | 3-OXO-CYCLOBUTANECARBOXYLIC ACID BENZYL ESTER | benzyl?3-oxocyclobutanecarboxylate | MFCD118
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles C1C(CC1=O)C(=O)OCC2=CC=CC=C2 IUPAC Name benzyl 3-oxocyclobutane-1-carboxylate InChIKey OPGPYIKNRCXNQY-UHFFFAOYSA-N INCHI 1S/C12H12O3/c13-11-6-10(7-11)12(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2 Isomeric SMILES C1C(CC1=O)C(=O)OCC2=CC=CC=C2 Molecular Weight 204.22 Reaxy-Rn 7871514 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7871514&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 Benzenoids Class Benzene and substituted derivatives Subclass Benzyloxycarbonyls Intermediate Tree Nodes Not available Direct Parent Benzyloxycarbonyls Alternative Parents Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzyloxycarbonyl - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 204.220 g/mol XLogP3 1.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 204.079 Da Monoisotopic Mass 204.079 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 246.000 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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