Methyl 3,5-dioxohexanoate - ≥95% , CAS No.29736-80-9

CAS: 29736-80-9 Cat. No.: M192598 Fórmula: C₇H₁₀O₄ Peso molecular: 158.15

GRADE & PURITY ≥95%

Synonyms

Methyl3,5-dioxohexanoate | DTXSID00337065 | 2-(2-Chloroethyl)-1,2,3,4,5,6-hexahydrobenzo[c]azocine hydrochloride | DS-16555 | C74527 | AKOS015851473 | AMY17189 | SY108603 | 3,5-Dioxo-hexanoic acid methyl ester | FT-0757632 | Methyl 3,5-dioxohexanoate | SC

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Methyl3,5-dioxohexanoate | DTXSID00337065 | 2-(2-Chloroethyl)-1,2,3,4,5,6-hexahydrobenzo[c]azocine hydrochloride | DS-16555 | C74527 | AKOS015851473 | AMY17189 | SY108603 | 3,5-Dioxo-hexanoic acid methyl ester | FT-0757632 | Methyl 3,5-dioxohexanoate | SC

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: CC(=O)CC(=O)CC(=O)OC
• IUPAC Name: methyl 3,5-dioxohexanoate
• InChIKey: JUKCTOHWTHYRPF-UHFFFAOYSA-N
• INCHI: 1S/C7H10O4/c1-5(8)3-6(9)4-7(10)11-2/h3-4H2,1-2H3
• SMILES isoméricas: CC(=O)CC(=O)CC(=O)OC
• Peso molecular: 158.15
• Reaxy-Rn: 1860640
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1860640&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Keto acids and derivatives
      • Subclass Beta-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Keto acids and derivatives
• Subclass: Beta-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta-keto acids and derivatives
• Alternative Parents: Fatty acid methyl esters Beta-diketones Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-keto acid - Fatty acid ester - 1,3-diketone - Fatty acid methyl ester - 1,3-dicarbonyl compound - Fatty acyl - Methyl ester - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
• 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

Propriedades químicas e físicas

• Peso molecular: 158.150 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 158.058 Da
• Monoisotopic Mass: 158.058 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 183.000
• 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

Perguntas frequentes

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 29736-80-9, the molecular formula is C7H10O4, and the molecular weight is 158.15 g/mol. InChIKey JUKCTOHWTHYRPF-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.