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

CAS: 3685-26-5 Cat. No.: T423651 分子式: C₇H₁₂O₃ 分子量: 144.17 Beilstein Registry Number: 10(4)32 EC番号: 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

同義語

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

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 528770557
• カノニカル・スマイル: 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)
• 異性体SMILES: C1CC(CCC1C(=O)O)O
• 分子量: 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
    • 分類 Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 引火点（°F）: 154℃
• 引火点（°C）: 154℃
• 沸点（°C）: 308℃
• 融点（°C）: 149-150℃
• 分子量: 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