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

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

グレード＆純度 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

仕様

同義語

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

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

名前と識別子

カノニカル・スマイル

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)

異性体SMILES

C(CC(=O)C(=O)O)CC(=O)O

PubChem CID

71

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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

よくある質問

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.