(E)-4-Methoxybut-2-enoic acid - ≥98% , CAS No.63968-74-1

CAS: 63968-74-1 Cat. No.: E589767 Fórmula: C₅H₈O₃ Peso molecular: 116.11 Número EC: 825-421-4

GRADE & PURITY ≥98%

Synonyms

AS-53760 | (E)-4-methoxybut-2-enoic acid | ZOJKRWXDNYZASL-NSCUHMNNSA-N | EN300-157783 | MFCD03789599 | (E)-4-methoxybut-2-enoicacid | SCHEMBL41825 | 4-methoxycrotonic acid | (2e)-4-methoxybut-2-enoic acid | (2E)-4-Methoxy-2-butenoic Acid | P17072 | 4-meth

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product Application:

(2E)-4-Methoxy-2-butenoic Acid is used in the protection of hydroxy groups in molecules forming esters such as cronate.

Specifications

Sinónimos

AS-53760 | (E)-4-methoxybut-2-enoic acid | ZOJKRWXDNYZASL-NSCUHMNNSA-N | EN300-157783 | MFCD03789599 | (E)-4-methoxybut-2-enoicacid | SCHEMBL41825 | 4-methoxycrotonic acid | (2e)-4-methoxybut-2-enoic acid | (2E)-4-Methoxy-2-butenoic Acid | P17072 | 4-meth

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504767815
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767815
• Sonrisas canónicas: COCC=CC(=O)O
• IUPAC Name: (E)-4-methoxybut-2-enoic acid
• InChIKey: ZOJKRWXDNYZASL-NSCUHMNNSA-N
• INCHI: 1S/C5H8O3/c1-8-4-2-3-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2+
• Isómeros SMILES: COC/C=C/C(=O)O
• Peso molecular: 116.11
• Reaxy-Rn: 1745248
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745248&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Straight chain fatty acids
• Alternative Parents: Unsaturated fatty acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
• 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

Propiedades químicas y físicas

• Peso molecular: 116.110 g/mol
• XLogP3: -0.100
• 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

Preguntas frecuentes

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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 63968-74-1, the molecular formula is C5H8O3, and the molecular weight is 116.11 g/mol. InChIKey ZOJKRWXDNYZASL-NSCUHMNNSA-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.