Cyclopropane-1,1-dicarboxylic acid, methyl ester - ≥97% , CAS No.113020-21-6

CAS: 113020-21-6 Cat. No.: C108022 Peso molecular: 144.13 Número EC: 681-302-5

GRADE & PURITY ≥97%

Synonyms

1-methoxycarbonylcyclopropanecarboxylic acid | Cyclopropane-1,1-dicarboxylic acid monomethylester | SY002110 | EN300-138787 | AKOS005255350 | 1-Methoxycarbonylcyclopropane carboxylic acid | 1-(methoxycarbonyl)cyclopropane carboxylic acid | acs.jmedchem.1c

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1-methoxycarbonylcyclopropanecarboxylic acid | Cyclopropane-1, 1-dicarboxylic acid monomethylester | SY002110 | EN300-138787 | AKOS005255350 | 1-Methoxycarbonylcyclopropane carboxylic acid | 1-(methoxycarbonyl)cyclopropane carboxylic acid | acs.jmedchem.1c

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Pubchem Sid: 488198542
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198542
• Sonrisas canónicas: COC(=O)C1(CC1)C(=O)O
• IUPAC Name: 1-methoxycarbonylcyclopropane-1-carboxylic acid
• InChIKey: IZYOHLOUZVEIOS-UHFFFAOYSA-N
• INCHI: 1S/C6H8O4/c1-10-5(9)6(2-3-6)4(7)8/h2-3H2,1H3,(H,7,8)
• Isómeros SMILES: COC(=O)C1(CC1)C(=O)O
• Peso molecular: 144.13
• Reaxy-Rn: 4381191
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4381191&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Cyclopropanecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclopropanecarboxylic acids
• Alternative Parents: Dicarboxylic acids and derivatives Methyl esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Methyl ester - Carboxylic acid ester - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids. These are organic compounds containing a carboxyl group attached to a cyclopropane ring.
• 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

• Solubilidad: Slightly soluble in water.
• Punto de inflamación (°F): 230°F
• Punto de inflamación (°C): >110°
• Punto de ebullición (°C): 85-87°/0.2mmHg
• Punto de fusión (°C): 50-57℃
• Peso molecular: 144.120 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 144.042 Da
• Monoisotopic Mass: 144.042 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 180.000
• 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