trans-4-Hydroxycyclohexanecarboxylic Acid - 10mM in DMSO , CAS No.3685-26-5

CAS: 3685-26-5 Cat. No.: T423651 Formula: C₇H₁₂O₃ Peso molecolare: 144.17 Beilstein Registry Number: 10(4)32 Numero EC: 680-094-3

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinonimi

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

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Nomi e identificatori

• Pubchem Sid: 528770557
• Sorrisi canonici: 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)
• Isomeri SMILES: C1CC(CCC1C(=O)O)O
• Peso molecolare: 144.17
• Beilstein: 10(4)32
• 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
    • 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: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 154℃
• Punto di infiammabilità (°C): 154℃
• Punto di ebollizione (°C): 308℃
• Punto di fusione (°C): 149-150℃
• Peso molecolare: 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