4-Pentenoic Acid - 10mM in DMSO , CAS No.591-80-0

CAS: 591-80-0 Cat. No.: P424936 Fórmula: C₅H₈O₂ Peso molecular: 100.12 Número EC: 209-732-7 PubChem CID: 61138

GRADE & PURITY 10mM in DMSO

Synonyms

FT-0676299 | InChI=1/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7 | NCGC00188966-01 | NSC9000 | NSC-9000 | HY-Y0624 | 4-pentenic acid | C5:1n-1 | PD124022 | BBL027458 | DTXCID8024448 | F2190-0007 | delta4-Pentenoic acid | Delta(4)-pentenoic acid | 4-Pentenoic

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

The sulfonation of 4-pentenoic acid (Allylacetic acid) yields the corresponding γ-lactone
4-Pentenoic acid (Allylacetic acid) was used to inhibit fatty acid oxidation in rat heart mitochondria.

Specifications

Sinónimos

FT-0676299 | InChI=1/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7 | NCGC00188966-01 | NSC9000 | NSC-9000 | HY-Y0624 | 4-pentenic acid | C5:1n-1 | PD124022 | BBL027458 | DTXCID8024448 | F2190-0007 | delta4-Pentenoic acid | Delta(4)-pentenoic acid | 4-Pentenoic

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

Pubchem Sid

528760077

Sonrisas canónicas

C=CCCC(=O)O

IUPAC Name

pent-4-enoic acid

InChIKey

HVAMZGADVCBITI-UHFFFAOYSA-N

INCHI

1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)

Isómeros SMILES

C=CCCC(=O)O

WGK Alemania

1

RTECS

SB2800000

PubChem CID

61138

Peso molecular

100.12

Reaxy-Rn

1633696

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 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 - 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: Unsaturated fatty acids

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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.428
• Punto de inflamación (°F): 192°F
• Punto de inflamación (°C): 89℃
• Punto de ebullición (°C): 187-189℃
• Punto de fusión (°C): -22.5°C
• Peso molecular: 100.120 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 76.100
• 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