Ethyl 2-phenylcyclopropanecarboxylate - ≥95% , CAS No.97-71-2

CAS: 97-71-2 Cat. No.: E305050 Summenformel: C₁₂H₁₄O₂ Molekulargewicht: 190.24

GRADE & PURITY ≥95%

Synonyms

ethyl 2-phenylcyclopropane-1-carboxylate | FT-0652266 | H11098 | MFCD29060157 | Prostaglandin D2, >=95%, synthetic | SB40707 | STK346859 | FT-0696972 | .BETA.-NEURAMINIC ACID, N-ACETYL-, 2-(HYDROGEN 5'-CYTIDYLATE) | 2(S)-(1(S)-carboxy-2-(3-(3,5-dichlorobe

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

ethyl 2-phenylcyclopropane-1-carboxylate | FT-0652266 | H11098 | MFCD29060157 | Prostaglandin D2, >=95%, synthetic | SB40707 | STK346859 | FT-0696972 | .BETA.-NEURAMINIC ACID, N-ACETYL-, 2-(HYDROGEN 5'-CYTIDYLATE) | 2(S)-(1(S)-carboxy-2-(3-(3,5-dichlorobe

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CCOC(=O)C1CC1C2=CC=CC=C2

IUPAC Name

ethyl 2-phenylcyclopropane-1-carboxylate

InChIKey

SRGUIJLJERBBCM-UHFFFAOYSA-N

INCHI

1S/C12H14O2/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3

Isomere SMILES

CCOC(=O)C1CC1C2=CC=CC=C2

Molekulargewicht

190.24

Reaxy-Rn

2050376

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050376&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cyclopropanecarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: 190.240 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 190.099 Da
• Monoisotopic Mass: 190.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 206.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1