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

CAS: 42522-59-8 Cat. No.: M472015 Formula: C₄H₃O₄D₃ Peso molecolare: 121.11 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98 atom% D,≥98%

Condizioni di conservazione di stoccaggio

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

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98 atom% D,≥98%

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: [2H]C([2H])([2H])C(C(=O)O)C(=O)O
• WGK Germania: 2
• CAS alternativo: 516-05-2（unlabelled）
• Peso molecolare: 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
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Punto di infiammabilità (°F): 35.6 °F
• Punto di infiammabilità (°C): 2 °C
• Peso molecolare: 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