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

CAS: 61305-27-9 Cat. No.: H492879 Summenformel: C₅H₆O₂ Molekulargewicht: 98.10 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504762881

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

C1C(C=CC1=O)O

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive；Heat sensitive
• Flammpunkt (°C): 100 °C
• Molekulargewicht: 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