Cyclohexylacetic Acid - 10mM in DMSO , CAS No.5292-21-7

CAS: 5292-21-7 Cat. No.: C424536 Fórmula: C₈H₁₄O₂ Peso molecular: 142.2 Número CE: 226-132-0

GRADE & PURITY 10mM in DMSO

Synonyms

Cyclohexaneacetic acid | Cyclohexane-acetic acid | Z104486044 | Cyclohexaneacetic acid, >=98% | Q27117096 | WLN: L6TJ A1VQ | AI3-14243 | s6022 | LJOODBDWMQKMFB-UHFFFAOYSA- | A829309 | cyclohexyl acetic acid | F11130 | V43K3TO0HN | CYCLOHEXYLACETIC ACID |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

Cyclohexaneacetic acid | Cyclohexane-acetic acid | Z104486044 | Cyclohexaneacetic acid, >=98% | Q27117096 | WLN: L6TJ A1VQ | AI3-14243 | s6022 | LJOODBDWMQKMFB-UHFFFAOYSA- | A829309 | cyclohexyl acetic acid | F11130 | V43K3TO0HN | CYCLOHEXYLACETIC ACID |

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Pubchem Sid: 528773243
• Sorrisos canónicos: C1CCC(CC1)CC(=O)O
• IUPAC Name: 2-cyclohexylacetic acid
• InChIKey: LJOODBDWMQKMFB-UHFFFAOYSA-N
• INCHI: 1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
• SMILES isoméricas: C1CCC(CC1)CC(=O)O
• WGK Alemanha: 3
• RTECS: GU6490000
• Peso molecular: 142.2
• Reaxy-Rn: 2041326
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041326&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: monocarboxylic acid

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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 242-244℃
• Ponto de fusão (°C): 30 °C
• Peso molecular: 142.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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