4-Hydroxycyclopent-2-en-1-one - ≥98% , CAS No.61305-27-9

CAS: 61305-27-9 Cat. No.: H492879 Fórmula: C₅H₆O₂ Peso molecular: 98.10 Número CE: 623-328-1

GRADE & PURITY ≥98%

Synonyms

AKOS004121068 | 4-hydroxycyclopent-2-en-1-one | AMY1807 | A854005 | (+/-)-4-Hydroxycyclopent-2-en-1-one | InChI=1/C5H6O2/c6-4-1-2-5(7)3-4/h1-2,4,6H,3H | FT-0698683 | 4-Hydroxy-cyclopent-2-enone | 4-HYDROXYCYCLOPENT-2-ENONE | SB44691 | EN300-7159912 | FT-0

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AKOS004121068 | 4-hydroxycyclopent-2-en-1-one | AMY1807 | A854005 | (+/-)-4-Hydroxycyclopent-2-en-1-one | InChI=1/C5H6O2/c6-4-1-2-5(7)3-4/h1-2,4,6H,3H | FT-0698683 | 4-Hydroxy-cyclopent-2-enone | 4-HYDROXYCYCLOPENT-2-ENONE | SB44691 | EN300-7159912 | FT-0

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504762881

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762881

Sorrisos canónicos

C1C(C=CC1=O)O

IUPAC Name

4-hydroxycyclopent-2-en-1-one

InChIKey

DHNDDRBMUVFQIZ-UHFFFAOYSA-N

INCHI

1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-2,4,6H,3H2

SMILES isoméricas

C1C(C=CC1=O)O

Peso molecular

98.10

Reaxy-Rn

2075432

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2075432&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Secondary alcohol - Ketone - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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: Air sensitive；Heat sensitive
• Ponto de inflamação (°C): 100 °C
• Peso molecular: 98.100 g/mol
• XLogP3: -0.600
• 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: 115.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1