ethyl 1-hydroxycyclopropane-1-carboxylate - ≥97% , CAS No.137682-89-4

CAS: 137682-89-4 Cat. No.: E173756 Summenformel: C₆H₁₀O₃ Molekulargewicht: 130.1418 EG-Nummer: 694-916-3

GRADE & PURITY ≥97%

Synonyms

DPMGQZGXWRHYPE-UHFFFAOYSA-N | SB12361 | FT-0721352 | ethyl-1-hydroxycyclopropane carboxylate | ETHYL1-HYDROXYCYCLOPROPANECARBOXYLATE,90 | 1-hydroxy-cyclopropanecarboxylic acid ethyl ester | Ethyl 1-hydroxycyclopropanecarboxylate | AS-39297 | DTXSID0036998

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DPMGQZGXWRHYPE-UHFFFAOYSA-N | SB12361 | FT-0721352 | ethyl-1-hydroxycyclopropane carboxylate | ETHYL1-HYDROXYCYCLOPROPANECARBOXYLATE,90 | 1-hydroxy-cyclopropanecarboxylic acid ethyl ester | Ethyl 1-hydroxycyclopropanecarboxylate | AS-39297 | DTXSID0036998

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CCOC(=O)C1(CC1)O
• IUPAC Name: ethyl 1-hydroxycyclopropane-1-carboxylate
• InChIKey: DPMGQZGXWRHYPE-UHFFFAOYSA-N
• INCHI: 1S/C6H10O3/c1-2-9-5(7)6(8)3-4-6/h8H,2-4H2,1H3
• Isomere SMILES: CCOC(=O)C1(CC1)O
• Molekulargewicht: 130.1418
• Reaxy-Rn: 11268519
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11268519&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Cyclopropanecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclopropanecarboxylic acids and derivatives
• Alternative Parents: Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopropanecarboxylic acid or derivatives - Tertiary alcohol - Cyclopropanol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 130.139 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 130.063 Da
• Monoisotopic Mass: 130.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 126.000
• 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