Trimethyl methanetricarboxylate - ≥95% , CAS No.1186-73-8

CAS: 1186-73-8 Cat. No.: T189938 Peso molecular: 190.15 Número EC: 960-996-6

GRADE & PURITY ≥95%

Synonyms

AC2630 | Methanetricarboxylic acid, trimethyl ester | A804071 | Trimethyl methanetricarboxylate | DS-2186 | BCP26215 | 1,1,1-trimethyl methanetricarboxylate | DTXSID80152177 | Trimethyl methane tricarboxylate | SCHEMBL422851 | BNOIMFITGLLJTH-UHFFFAOYSA-N

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AC2630 | Methanetricarboxylic acid, trimethyl ester | A804071 | Trimethyl methanetricarboxylate | DS-2186 | BCP26215 | 1, 1, 1-trimethyl methanetricarboxylate | DTXSID80152177 | Trimethyl methane tricarboxylate | SCHEMBL422851 | BNOIMFITGLLJTH-UHFFFAOYSA-N

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C(C(=O)OC)C(=O)OC
• IUPAC Name: trimethyl methanetricarboxylate
• InChIKey: BNOIMFITGLLJTH-UHFFFAOYSA-N
• INCHI: 1S/C7H10O6/c1-11-5(8)4(6(9)12-2)7(10)13-3/h4H,1-3H3
• Isómeros SMILES: COC(=O)C(C(=O)OC)C(=O)OC
• Peso molecular: 190.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: 1,3-dicarbonyl compounds Methyl esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - 1,3-dicarbonyl compound - Methyl ester - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl 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

Propiedades químicas y físicas

• Peso molecular: 190.150 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 190.048 Da
• Monoisotopic Mass: 190.048 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 13
• 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