Monoethyl Malonate - ≥98%(T) , CAS No.1071-46-1

CAS: 1071-46-1 Cat. No.: M158864 Peso molecular: 132.12 Número EC: 213-992-7

GRADE & PURITY ≥98%(T)

Synonyms

SCHEMBL15376 | Chir 258 | J-001717 | A801594 | DBV hydrochloride | hydrogen ethyl malonate | AKOS005206705 | BIX-02189(Random Configuration) | 2-(ethoxycarbonyl)acetic acid | malonic acid monoethylester | (Ethoxycarbonyl)acetic acid | STK802450 | FT-06261

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL15376 | Chir 258 | J-001717 | A801594 | DBV hydrochloride | hydrogen ethyl malonate | AKOS005206705 | BIX-02189(Random Configuration) | 2-(ethoxycarbonyl)acetic acid | malonic acid monoethylester | (Ethoxycarbonyl)acetic acid | STK802450 | FT-06261

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504754548
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754548
• Sonrisas canónicas: CCOC(=O)CC(=O)O
• IUPAC Name: 3-ethoxy-3-oxopropanoic acid
• InChIKey: HGINADPHJQTSKN-UHFFFAOYSA-N
• INCHI: 1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)
• Isómeros SMILES: CCOC(=O)CC(=O)O
• WGK Alemania: 3
• Peso molecular: 132.12
• Reaxy-Rn: 1758845
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758845&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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 acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - 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 dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: aromatic carboxylic acid - pyridinemonocarboxylic acid

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

• Solubilidad: Miscible with water, chloroform and other solvents.
• Sensibilidad: Moisture sensitive;Heat sensitive
• Índice de refracción: 1.435
• Punto de inflamación (°F): 230°F
• Punto de inflamación (°C): >110℃
• Punto de ebullición (°C): 106.5 °C/3 mmHg
• Punto de fusión (°C): -13 °C
• Peso molecular: 132.110 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 132.042 Da
• Monoisotopic Mass: 132.042 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 118.000
• 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