1-Hydroxycyclohexanecarboxylic acid - ≥98% , CAS No.1123-28-0

CAS: 1123-28-0 Cat. No.: H586406 Formule: C₇H₁₂O₃ Poids moléculaire: 144.17 Numéro CE: 818-775-6

GRADE & PURITY ≥98%

Synonyms

1-Hydroxy-1-cyclohexanecarboxylic acid | NSC143384 | NSC-143384 | Q-100068 | STK501074 | Cyclohexanecarboxylic acid, 1-hydroxy- | AKOS000119234 | H10415 | 1-Hydroxycyclohexanecarboxylic acid | 1-Hydroxy-cyclohexanecarboxylic acid | 1-hydroxycyclohexane-ca

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

1-Hydroxy-1-cyclohexanecarboxylic acid | NSC143384 | NSC-143384 | Q-100068 | STK501074 | Cyclohexanecarboxylic acid, 1-hydroxy- | AKOS000119234 | H10415 | 1-Hydroxycyclohexanecarboxylic acid | 1-Hydroxy-cyclohexanecarboxylic acid | 1-hydroxycyclohexane-ca

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504757883

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757883

Sourires canoniques

C1CCC(CC1)(C(=O)O)O

IUPAC Name

1-hydroxycyclohexane-1-carboxylic acid

InChIKey

BPOVRAAUERBWFK-UHFFFAOYSA-N

INCHI

1S/C7H12O3/c8-6(9)7(10)4-2-1-3-5-7/h10H,1-5H2,(H,8,9)

Isomères SMILES

C1CCC(CC1)(C(=O)O)O

Poids moléculaire

144.17

Reaxy-Rn

1306767

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1306767&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Alpha hydroxy acids and derivatives Tertiary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Hydroxy acid - Alpha-hydroxy acid - Tertiary alcohol - Cyclic alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 144.170 g/mol
• XLogP3: 0.700
• 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: 136.000
• 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