3-Oxocyclohexanecarboxylic acid - ≥95% , CAS No.16205-98-4

CAS: 16205-98-4 Cat. No.: O191300 Summenformel: C₇H₁₀O₃ Molekulargewicht: 142.15 EG-Nummer: 849-253-6

GRADE & PURITY ≥95%

Synonyms

Cyclohexanecarboxylicacid,3-oxo- | 3-oxocyclohexane-1-carboxylic Acid | 6-CARBOXY-2,4-DIHYDROXYPYRIMIDINEMONOPOTASSIUMSALT | 3-oxocyclohexanecarboxylic acid | 3-Oxo-cyclohexanecarboxylic acid | SY026629 | Racemic 3-oxocyclohexanecarboxylic acid | 3-ketocy

Storage

Room temperature

Shipped In

Normal

Übersicht

3-Oxo-1-cyclohexanecarboxylic acid is a cyclic keto acid that can be prepared starting from 2-acetoxy-1,4-ethoxycarbonylcyclohex-1-ne.

Specifications

Synonyme

Cyclohexanecarboxylicacid,3-oxo- | 3-oxocyclohexane-1-carboxylic Acid | 6-CARBOXY-2,4-DIHYDROXYPYRIMIDINEMONOPOTASSIUMSALT | 3-oxocyclohexanecarboxylic acid | 3-Oxo-cyclohexanecarboxylic acid | SY026629 | Racemic 3-oxocyclohexanecarboxylic acid | 3-ketocy

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504761568
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761568
• Kanonisches Lächeln: C1CC(CC(=O)C1)C(=O)O
• IUPAC Name: 3-oxocyclohexane-1-carboxylic acid
• InChIKey: WATQNARHYZXAGY-UHFFFAOYSA-N
• INCHI: 1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)
• Isomere SMILES: C1CC(CC(=O)C1)C(=O)O
• WGK Deutschland: 3
• Molekulargewicht: 142.15
• Reaxy-Rn: 2208214
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208214&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 142.150 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.063 Da
• Monoisotopic Mass: 142.063 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 16205-98-4, the molecular formula is C7H10O3, and the molecular weight is 142.15 g/mol. InChIKey WATQNARHYZXAGY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.