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

CAS: 61305-27-9 Cat. No.: H492879 Formula: C₅H₆O₂ Peso molecolare: 98.10 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504762881
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762881
• Sorrisi canonici: 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
• Isomeri SMILES: C1C(C=CC1=O)O
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive；Heat sensitive
• Punto di infiammabilità (°C): 100 °C
• Peso molecolare: 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