4-Hydroxycyclohexanecarboxylic Acid - ≥98%(GC), mixture of isomers , CAS No.17419-81-7

CAS: 17419-81-7 Cat. No.: H132286 Fórmula: C₇H₁₂O₃ Peso molecular: 144.17 Número EC: 680-048-2

GRADE & PURITY ≥98%(GC), mixture of isomers

Synonyms

PD124080 | Cyclohexanecarboxylic acid, 4-hydroxy-, trans- | dimethyl amine HCl salt | HCFRWBBJISAZNK-UHFFFAOYSA- | 4-Hydroxycyclohexane carboxylic acid | CHEBI:89341 | cis-4-Hydroxycyclohexane carboxylic acid | 4-hydroxycyclohexane | H0960 | H1175 | SB110

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

PD124080 | Cyclohexanecarboxylic acid, 4-hydroxy-, trans- | dimethyl amine HCl salt | HCFRWBBJISAZNK-UHFFFAOYSA- | 4-Hydroxycyclohexane carboxylic acid | CHEBI:89341 | cis-4-Hydroxycyclohexane carboxylic acid | 4-hydroxycyclohexane | H0960 | H1175 | SB110

Especificaciones y pureza

≥98%(GC), mixture of isomers

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

508809739

Sonrisas canónicas

C1CC(CCC1C(=O)O)O

IUPAC Name

4-hydroxycyclohexane-1-carboxylic acid

InChIKey

HCFRWBBJISAZNK-UHFFFAOYSA-N

INCHI

1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)

Isómeros SMILES

C1CC(CCC1C(=O)O)O

Peso molecular

144.17

Reaxy-Rn

2689806

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2689806&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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

Propiedades químicas y físicas

• Peso molecular: 144.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.079 Da
• Monoisotopic Mass: 144.079 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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