3-Allyloxypropionic Acid - ≥95%(GC) , CAS No.22577-15-7

CAS: 22577-15-7 Cat. No.: A151450 Fórmula: C₆H₁₀O₃ Peso molecular: 130.14 Número CE: 672-718-8

GRADE & PURITY ≥95%(GC)

Synonyms

3-Allyloxypropionic Acid | 3-Allyloxypropionic Acid, 95% | 3-prop-2-enoxypropanoic acid | XAA57715 | 3-(allyloxy)propionic acid | AKOS005202721 | MFCD00039537 | 3-(prop-2-en-1-yloxy)propanoic acid | 3-(Allyloxy)propanoic acid # | 3-(Allyloxy)propanoicacid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

3-Allyloxypropionic Acid | 3-Allyloxypropionic Acid, 95% | 3-prop-2-enoxypropanoic acid | XAA57715 | 3-(allyloxy)propionic acid | AKOS005202721 | MFCD00039537 | 3-(prop-2-en-1-yloxy)propanoic acid | 3-(Allyloxy)propanoic acid # | 3-(Allyloxy)propanoicacid

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%(GC)

Nomes e identificadores

• Pubchem Sid: 508809010
• Sorrisos canónicos: C=CCOCCC(=O)O
• IUPAC Name: 3-prop-2-enoxypropanoic acid
• InChIKey: LBJZZFXUVYHXPH-UHFFFAOYSA-N
• INCHI: 1S/C6H10O3/c1-2-4-9-5-3-6(7)8/h2H,1,3-5H2,(H,7,8)
• SMILES isoméricas: C=CCOCCC(=O)O
• Peso molecular: 130.14
• Reaxy-Rn: 1752348
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752348&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

Propriedades químicas e físicas

• Sensibilidade: heat sensitive
• Índice de refração: 1.44
• Ponto de inflamação (°C): 92 °C
• Ponto de ebulição (°C): 192°C(lit.)
• Peso molecular: 130.139 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 130.063 Da
• Monoisotopic Mass: 130.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 98.500
• 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