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

CAS: 55577-88-3 Cat. No.: P343307 Formula: C₃H₃D₃O₂ Molecular Weight: 77.1 EC Number: 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

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

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: [2H]C([2H])([2H])CC(=O)O
• Molecular Weight: 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
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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

Frequently Asked Questions

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.