3-Cyclopropyl-3-oxo-propionic aicd ethyl ester - ≥96% , CAS No.24922-02-9

CAS: 24922-02-9 Cat. No.: C124095 Molecular Weight: 156.18 EC Number: 607-452-3

GRADE & PURITY ≥96%

Synonyms

AS-17749 | Ethyl 3-cyclopropyl-3-oxopropionate | ethyl 3-cyclopropyl-3-oxo-propionate | SCHEMBL1014646 | Carbethoxymethyl cyclopropyl ketone | ethyl 3-cyclopropyl-3-oxopropanoate | Ethyl 3-cyclopropyl-3-oxo-propanoate | BCP11660 | ethyl 3-cyclopropyl-prop

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AS-17749 | Ethyl 3-cyclopropyl-3-oxopropionate | ethyl 3-cyclopropyl-3-oxo-propionate | SCHEMBL1014646 | Carbethoxymethyl cyclopropyl ketone | ethyl 3-cyclopropyl-3-oxopropanoate | Ethyl 3-cyclopropyl-3-oxo-propanoate | BCP11660 | ethyl 3-cyclopropyl-prop

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488189140
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189140
• Canonical Smiles: CCOC(=O)CC(=O)C1CC1
• IUPAC Name: ethyl 3-cyclopropyl-3-oxopropanoate
• InChIKey: LFSVADABIDBSBV-UHFFFAOYSA-N
• INCHI: 1S/C8H12O3/c1-2-11-8(10)5-7(9)6-3-4-6/h6H,2-5H2,1H3
• Isomeric SMILES: CCOC(=O)CC(=O)C1CC1
• WGK Germany: 3
• Molecular Weight: 156.18
• Reaxy-Rn: 972496
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972496&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbocyclic fatty acids
• Alternative Parents: Fatty acid esters Beta-keto acids and derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Carbocyclic fatty acid - Fatty acid ester - Beta-keto acid - 1,3-dicarbonyl compound - Keto acid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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 carbocyclic fatty acids. These are fatty acids containing a carbocyclic 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

Chemical and Physical Properties

• Refractive Index: 1.449
• Flash Point(°F): >204.8 °F
• Flash Point(°C): >96 °C
• Boil Point(°C): 73°C/1mmHg
• Molecular Weight: 156.180 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 156.079 Da
• Monoisotopic Mass: 156.079 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 170.000
• 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