4-Hydroxycyclohexanone - ≥97% , CAS No.13482-22-9

CAS: 13482-22-9 Cat. No.: H657088 Formula: C₆H₁₀O₂ Peso molecolare: 114.14 Numero EC: 620-210-1

QUALITÀ & PUREZZA ≥97%

Synonyms

FT-0669349 | MFCD02093817 | 4-hydroxy-cyclohexan-1-one | 4-hydroxycyclohexan-1-one | 4-Oxocyclohexan-1-ol | AKOS006344707 | FT-0646905 | 4-hydroxycyclohexanon | EN300-93773 | 1-Hydroxy-4-oxocyclohexane | 4-Hydroxy Cyclohexanone-d4 | J-006609 | 4hydroxycyc

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

FT-0669349 | MFCD02093817 | 4-hydroxy-cyclohexan-1-one | 4-hydroxycyclohexan-1-one | 4-Oxocyclohexan-1-ol | AKOS006344707 | FT-0646905 | 4-hydroxycyclohexanon | EN300-93773 | 1-Hydroxy-4-oxocyclohexane | 4-Hydroxy Cyclohexanone-d4 | J-006609 | 4hydroxycyc

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

508809740

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809740

Sorrisi canonici

C1CC(=O)CCC1O

IUPAC Name

4-hydroxycyclohexan-1-one

InChIKey

BXBJZYXQHHPVGO-UHFFFAOYSA-N

INCHI

1S/C6H10O2/c7-5-1-2-6(8)4-3-5/h5,7H,1-4H2

Isomeri SMILES

C1CC(=O)CCC1O

Peso molecolare

114.14

Reaxy-Rn

2237704

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2237704&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: Cyclic alcohols and derivatives
• Alternative Parents: Secondary alcohols Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic alcohol - 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 cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
• 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

• Peso molecolare: 114.140 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 88.700
• 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