1，2-BUTADIENE - Electronic grade, ≥99.5% , CAS No.590-19-2

CAS: 590-19-2 Cat. No.: B693475 Peso molecular: 54.09 Número EC: 209-674-2 PubChem CID: 11535

GRADE & PURITY Electronic grade, ≥99.5%

Storage

Room temperature

Specifications

Especificaciones y pureza

Electronic grade, ≥99.5%

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Electronic grade

Pureza

≥99.5%

Propiedades del producto

• ALogP: 1

Nombres e identificadores

• Sonrisas canónicas: CC=C=C
• InChIKey: QNRMTGGDHLBXQZ-UHFFFAOYSA-N
• INCHI: 1S/C4H6/c1-3-4-2/h4H,1H2,2H3
• Isómeros SMILES: CC=C=C
• PubChem CID: 11535
• Peso molecular: 54.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Allenes
    • Clase Acyclic allenes

• Kingdom: Organic compounds
• Superclass: Allenes
• Clase: Acyclic allenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic allenes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic allene - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acyclic allenes. These are acyclic hydrocarbons (and by extension, derivatives formed by substitution) having two double bonds from one carbon atom to two others.
• External Descriptors: allenes - butadiene

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: 54.090 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 54.047 Da
• Monoisotopic Mass: 54.047 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 38.000
• 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