Methyl 2-cyclopropylacetate - ≥97% , CAS No.34108-21-9

CAS: 34108-21-9 Cat. No.: M176180 Formula: C₆H₁₀O₂ Peso molecolare: 114.14 Numero EC: 827-298-2

GRADE & PURITY ≥97%

Synonyms

AKOS009291419 | cyclopropylacetic acid methyl ester | METHYL CYCLOPROPYLACETATE | AS-30957 | MFCD12031699 | FT-0688496 | CRBILHZMYDIQRQ-UHFFFAOYSA-N | Cyclopropyl-essigsaeure-methylester; methyl 2-cylopropylacetate; | methyl 2-cyclopropylacetate | SCHEMBL

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

AKOS009291419 | cyclopropylacetic acid methyl ester | METHYL CYCLOPROPYLACETATE | AS-30957 | MFCD12031699 | FT-0688496 | CRBILHZMYDIQRQ-UHFFFAOYSA-N | Cyclopropyl-essigsaeure-methylester; methyl 2-cylopropylacetate; | methyl 2-cyclopropylacetate | SCHEMBL

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

COC(=O)CC1CC1

IUPAC Name

methyl 2-cyclopropylacetate

InChIKey

CRBILHZMYDIQRQ-UHFFFAOYSA-N

INCHI

1S/C6H10O2/c1-8-6(7)4-5-2-3-5/h5H,2-4H2,1H3

Isomeri SMILES

COC(=O)CC1CC1

Peso molecolare

114.14

Reaxy-Rn

636126

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636126&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Methyl ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 114.140 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 94.700
• 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