α-oxoadipic acid - Moligand™ , CAS No.3184-35-8

CAS: 3184-35-8 Cat. No.: O607555 Número CE: 636-531-5 PubChem CID: 71

GRADE & PURITY Moligand™

Synonyms

2-Oxohexanedioicacid | 2-Oxo-hexanedioate | Hexanedioic acid, 2-oxo- (7CI,8CI,9CI) | Oxoadipate | .ALPHA.-OXOADIPIC ACID | 2-Oxohexanedioic acid # | Oxoadipic acid | C00322 | InChI=1/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) | HEXANEDIOIC AC

Storage

Room temperature

Specifications

Sinónimos

2-Oxohexanedioicacid | 2-Oxo-hexanedioate | Hexanedioic acid, 2-oxo- (7CI,8CI,9CI) | Oxoadipate | .ALPHA.-OXOADIPIC ACID | 2-Oxohexanedioic acid # | Oxoadipic acid | C00322 | InChI=1/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) | HEXANEDIOIC AC

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Nomes e identificadores

• Sorrisos canónicos: OC(=O)CCCC(=O)C(=O)O
• IUPAC Name: 2-oxohexanedioic acid
• InChIKey: FGSBNBBHOZHUBO-UHFFFAOYSA-N
• INCHI: 1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
• SMILES isoméricas: C(CC(=O)C(=O)O)CC(=O)O
• PubChem CID: 71

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Keto acids and derivatives
• Subclass: Medium-chain keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain keto acids and derivatives
• Alternative Parents: Dicarboxylic acids and derivatives Alpha-keto acids and derivatives Alpha-hydroxy ketones Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain keto acid - Dicarboxylic acid or derivatives - Alpha-keto acid - Alpha-hydroxy ketone - Ketone - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
• External Descriptors: Dicarboxylic acids

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: 160.120 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 160.037 Da
• Monoisotopic Mass: 160.037 Da
• Topological Polar Surface Area: 91.700 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 Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 3184-35-8. InChIKey FGSBNBBHOZHUBO-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.