Ethyl 2-phenylacrylate - ≥94% , CAS No.22286-82-4

CAS: 22286-82-4 Cat. No.: E135702 Summenformel: C₁₁H₁₂O₂ Molekulargewicht: 176.22 EG-Nummer: 244-892-1

GRADE & PURITY ≥94%

Synonyms

DTXSID7066776 | ETHYL .ALPHA.-METHYLENEBENZENEACETATE | EINECS 244-892-1 | MFCD00026862 | DS-12322 | ETHYL2-PHENYLACRYLATE | SCHEMBL316956 | Ethyl altropate | PT7338P3HC | SY106427 | AKOS016001490 | Benzeneacetic acid, alpha-methylene-, ethyl ester | ETHY

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyme

DTXSID7066776 | ETHYL .ALPHA.-METHYLENEBENZENEACETATE | EINECS 244-892-1 | MFCD00026862 | DS-12322 | ETHYL2-PHENYLACRYLATE | SCHEMBL316956 | Ethyl altropate | PT7338P3HC | SY106427 | AKOS016001490 | Benzeneacetic acid, alpha-methylene-, ethyl ester | ETHY

Spezifikationen & Reinheit

≥94%

Storage

Room temperature,Argon charged,Desiccated

Verschickt in

Normal

Reinheit

≥94%

Namen und Kennungen

• Pubchem Sid: 488186559
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186559
• Kanonisches Lächeln: CCOC(=O)C(=C)C1=CC=CC=C1
• IUPAC Name: ethyl 2-phenylprop-2-enoate
• InChIKey: BOIWYTYYWPXGAT-UHFFFAOYSA-N
• INCHI: 1S/C11H12O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
• Isomere SMILES: CCOC(=O)C(=C)C1=CC=CC=C1
• Molekulargewicht: 176.22
• Reaxy-Rn: 971985
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971985&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 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 styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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: 176.210 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 176.084 Da
• Monoisotopic Mass: 176.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 190.000
• 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