ethyl 1-Methylcyclopropanecarboxylate - ≥95% , CAS No.71441-76-4

CAS: 71441-76-4 Cat. No.: E420054 Formule: C₇H₁₂O₂ Poids moléculaire: 128.17 Numéro CE: 275-461-6

GRADE & PURITY ≥95%

Synonyms

1-methylcyclopropanoic acid ethyl ester | MFCD00001284 | 1-methylcyclopropane carboxylic acid ethyl ester | F14047 | ethyl1-methylcyclopropanecarboxylate | Ethyl 1-methylcyclopropanecarboxylate | ethyl 1-methylcyclopropane-carboxylate | AKOS006227751 | DT

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

1-methylcyclopropanoic acid ethyl ester | MFCD00001284 | 1-methylcyclopropane carboxylic acid ethyl ester | F14047 | ethyl1-methylcyclopropanecarboxylate | Ethyl 1-methylcyclopropanecarboxylate | ethyl 1-methylcyclopropane-carboxylate | AKOS006227751 | DT

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504759189

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759189

Sourires canoniques

CCOC(=O)C1(CC1)C

IUPAC Name

ethyl 1-methylcyclopropane-1-carboxylate

InChIKey

IZPYNZLFBUQGCZ-UHFFFAOYSA-N

INCHI

1S/C7H12O2/c1-3-9-6(8)7(2)4-5-7/h3-5H2,1-2H3

Isomères SMILES

CCOC(=O)C1(CC1)C

Poids moléculaire

128.17

Reaxy-Rn

1930375

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1930375&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriétés chimiques et physiques

• Poids moléculaire: 128.169 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 125.000
• 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