Propionic Acid-d3 , CAS No.55577-88-3

CAS: 55577-88-3 Cat. No.: P343307 分子式: C₃H₃D₃O₂ 分子量: 77.1 EC番号: 685-186-7

Synonyms

DTXSID00440947 | D98684 | (3,3,3-?H?)propanoic acid | PROPIONIC-3,3,3-D3 ACID | Propanoic acid-3,3,3-d3 | 3,3,3-trideuteriopropanoic acid | Propionic acid-3,3,3-d3, 99 atom % D

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

DTXSID00440947 | D98684 | (3,3,3-?H?)propanoic acid | PROPIONIC-3,3,3-D3 ACID | Propanoic acid-3,3,3-d3 | 3,3,3-trideuteriopropanoic acid | Propionic acid-3,3,3-d3, 99 atom % D

保管条件

Room temperature

入荷

Normal

名前と識別子

• カノニカル・スマイル: CCC(=O)O
• IUPAC Name: 3,3,3-trideuteriopropanoic acid
• InChIKey: XBDQKXXYIPTUBI-FIBGUPNXSA-N
• INCHI: 1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3
• 異性体SMILES: [2H]C([2H])([2H])CC(=O)O
• 分子量: 77.1
• Reaxy-Rn: 506071
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506071&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - 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 carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

化学的性質と物理的性質

• 分子量: 77.100 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 77.0556 Da
• Monoisotopic Mass: 77.0556 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 40.200
• Isotope Atom Count: 3
• 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

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 55577-88-3, the molecular formula is C3H3D3O2, and the molecular weight is 77.1 g/mol. InChIKey XBDQKXXYIPTUBI-FIBGUPNXSA-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.