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

CAS: 16205-98-4 Cat. No.: O191300 Fórmula: C₇H₁₀O₃ Peso molecular: 142.15 Número EC: 849-253-6

CALIDAD & PUREZA ≥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

Descripción general

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

Especificaciones

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504761568

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761568

Sonrisas canónicas

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)

Isómeros SMILES

C1CC(CC(=O)C1)C(=O)O

WGK Alemania

3

Peso molecular

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
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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

Preguntas frecuentes

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.