3-Hydroxycyclopent-2-en-1-one - ≥95% , CAS No.5870-62-2

CAS: 5870-62-2 Cat. No.: H695798 Peso molecular: 98.1 PubChem CID: 138618

GRADE & PURITY ≥95%

Synonyms

2-Cyclopenten-1-one, 3-hydroxy- | DTXSID10207402 | DTXCID70129893 | 3-hydroxycyclopent-2-en-1-one | 3-Hydroxycyclopent-2-enone | 2-Cyclopenten-1-one,3-hydroxy- | 3-hydroxy-cyclopentenone | 3-hydroxy-cyclopent-2-enone | SCHEMBL4502804 | SCHEMBL9368368 | CH

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-Cyclopenten-1-one, 3-hydroxy- | DTXSID10207402 | DTXCID70129893 | 3-hydroxycyclopent-2-en-1-one | 3-Hydroxycyclopent-2-enone | 2-Cyclopenten-1-one, 3-hydroxy- | 3-hydroxy-cyclopentenone | 3-hydroxy-cyclopent-2-enone | SCHEMBL4502804 | SCHEMBL9368368 | CH

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CC(=O)C=C1O
• IUPAC Name: 3-hydroxycyclopent-2-en-1-one
• InChIKey: GGWUYXFIBJPQCE-UHFFFAOYSA-N
• INCHI: 1S/C5H6O2/c6-4-1-2-5(7)3-4/h3,6H,1-2H2
• Isómeros SMILES: C1CC(=O)C=C1O
• PubChem CID: 138618
• Peso molecular: 98.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Vinylogous acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Vinylogous acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinylogous acids
• Alternative Parents: Cyclic ketones Enols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Vinylogous acid - Cyclic ketone - Ketone - Enol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as vinylogous acids. These are organic compounds containing a hydroxyl group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 98.100 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 98.0368 Da
• Monoisotopic Mass: 98.0368 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 124.000
• 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