Methyl-d₃-malonic acid - ≥98 atom% D,≥98% , CAS No.42522-59-8

CAS: 42522-59-8 Cat. No.: M472015 Summenformel: C₄H₃O₄D₃ Molekulargewicht: 121.11 EG-Nummer: 686-010-1

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

2-(trideuteriomethyl)propanedioic acid | DTXSID10445266 | MS-22757 | METHYL (D3)MALONIC ACID | SCHEMBL1362087 | HY-103395S | 2-(?H?)methylpropanedioic acid | Methyl-d3-malonic acid | Methylmalonic Acid-d3 | Methyl-d3-malonic acid, 98 atom % D | D98381 | 2

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

2-(trideuteriomethyl)propanedioic acid | DTXSID10445266 | MS-22757 | METHYL (D3)MALONIC ACID | SCHEMBL1362087 | HY-103395S | 2-(?H?)methylpropanedioic acid | Methyl-d3-malonic acid | Methylmalonic Acid-d3 | Methyl-d3-malonic acid, 98 atom % D | D98381 | 2

Spezifikationen & Reinheit

≥98 atom% D,≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom% D,≥98%

Namen und Kennungen

• Kanonisches Lächeln: CC(C(=O)O)C(=O)O
• IUPAC Name: 2-(trideuteriomethyl)propanedioic acid
• InChIKey: ZIYVHBGGAOATLY-FIBGUPNXSA-N
• INCHI: 1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)/i1D3
• Isomere SMILES: [2H]C([2H])([2H])C(C(=O)O)C(=O)O
• WGK Deutschland: 2
• Alternative CAS-Nummer: 516-05-2（unlabelled）
• Molekulargewicht: 121.11
• Reaxy-Rn: 1756084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756084&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: 1,3-dicarbonyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Flammpunkt (°F): 35.6 °F
• Flammpunkt (°C): 2 °C
• Molekulargewicht: 121.110 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 121.045 Da
• Monoisotopic Mass: 121.045 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• 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