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

CAS: 63968-74-1 Cat. No.: E589767 Molecular Weight: 116.11 EC Number: 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

Overview

Product Application:

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

Specifications

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767815
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767815
• Canonical Smiles: 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+
• Isomeric SMILES: COC/C=C/C(=O)O
• Molecular Weight: 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
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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