Diethyl Methyloxalacetate - ≥96% , CAS No.759-65-9

CAS: 759-65-9 Cat. No.: D155389 Summenformel: C₉H₁₄O₅ Molekulargewicht: 202.21 EG-Nummer: 212-071-7

GRADE & PURITY ≥96%

Synonyms

EINECS 212-071-7 | DTXSID4029353 | DTXSID50883562 | HY-128720 | NSC33946 | NSC-33946 | HYL 2-METHYL-3-OXOSUCCINATE | methyl oxalacetic acid diethyl ester | Diethyl oxalpropionate | Z1269118429 | L-Didecanoylphosphatidylcholine | Butanedioic acid, 2-methyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

EINECS 212-071-7 | DTXSID4029353 | DTXSID50883562 | HY-128720 | NSC33946 | NSC-33946 | HYL 2-METHYL-3-OXOSUCCINATE | methyl oxalacetic acid diethyl ester | Diethyl oxalpropionate | Z1269118429 | L-Didecanoylphosphatidylcholine | Butanedioic acid, 2-methyl

Spezifikationen & Reinheit

≥96%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

488187076

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187076

Kanonisches Lächeln

CCOC(=O)C(C)C(=O)C(=O)OCC

IUPAC Name

diethyl 2-methyl-3-oxobutanedioate

InChIKey

OQOCQBJWOCRPQY-UHFFFAOYSA-N

INCHI

1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3

Isomere SMILES

CCOC(=O)C(C)C(=O)C(=O)OCC

WGK Deutschland

3

Molekulargewicht

202.21

Reaxy-Rn

1783697

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1783697&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Keto acids and derivatives
      • Subclass Beta-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Keto acids and derivatives
• Subclass: Beta-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta-keto acids and derivatives
• Alternative Parents: Fatty acid esters Dicarboxylic acids and derivatives Alpha-keto acids and derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Alpha-keto acid - Ketone - Carboxylic acid ester - Carboxylic acid derivative - 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 beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
• External Descriptors: a small molecule

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

• Brechungsindex: 1.432
• Flammpunkt (°F): 206.6 °F
• Flammpunkt (°C): 97°C
• Siedepunkt (°C): 133°C/23mmHg
• Molekulargewicht: 202.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 202.084 Da
• Monoisotopic Mass: 202.084 Da
• Topological Polar Surface Area: 69.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 233.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1