3-Ethoxyacrylic acid - ≥98% , CAS No.6192-01-4

CAS: 6192-01-4 Cat. No.: E185593 分子式: C₅H₈O₃ 分子量: 116.1 EC番号: 695-656-3

GRADE & PURITY ≥98%

Synonyms

(E)-3-ethoxyprop-2-enoic acid | 3-ethoxyprop-2-enoic acid | 3-Ethyoxyacrylic acid | BCP05609 | MFCD01566841 | 3-Ethoxyacrylicacid | 2-Propenoic acid,3-ethoxy-,(2E)- | 3-ethoxyacrylic acid, AldrichCPR | AKOS006228816 | 3-Ethoxy-2-propenoic acid | 3-Ethoxya

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

(E)-3-ethoxyprop-2-enoic acid | 3-ethoxyprop-2-enoic acid | 3-Ethyoxyacrylic acid | BCP05609 | MFCD01566841 | 3-Ethoxyacrylicacid | 2-Propenoic acid,3-ethoxy-,(2E)- | 3-ethoxyacrylic acid, AldrichCPR | AKOS006228816 | 3-Ethoxy-2-propenoic acid | 3-Ethoxya

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 504763944
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504763944
• カノニカル・スマイル: CCOC=CC(=O)O
• IUPAC Name: (E)-3-ethoxyprop-2-enoic acid
• InChIKey: SYMAGJYJMLUEQE-ONEGZZNKSA-N
• INCHI: 1S/C5H8O3/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
• 異性体SMILES: CCO/C=C/C(=O)O
• 分子量: 116.1
• Reaxy-Rn: 1745247
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745247&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Acrylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Acrylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acrylic acids and derivatives
• Alternative Parents: Vinylogous esters Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acrylic acid or derivatives - Vinylogous ester - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as acrylic acids and derivatives. These are organic compounds containing acrylic acid CH2=CHCO2H or a derivative thereof.
• 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

化学的性質と物理的性質

• 分子量: 116.110 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 116.047 Da
• Monoisotopic Mass: 116.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 95.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6192-01-4, the molecular formula is C5H8O3, and the molecular weight is 116.1 g/mol. InChIKey SYMAGJYJMLUEQE-ONEGZZNKSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.