Trans-4-cyanocyclohexanecarboxylic acid - ≥95% , CAS No.15177-68-1

CAS: 15177-68-1 Cat. No.: T587370 Formule: C₈H₁₁NO₂ Poids moléculaire: 153.18 Numéro CE: 837-110-0 PubChem CID: 10130061

QUALITÉ & PURETÉ ≥95%

Synonyms

4-cyanocyclohexane-1-carboxylic Acid | Trans-4-cyanocyclohexanecarboxylic acid | cis-4-cyanocyclohexanecarboxylic acid | DTXSID50435944 | trans-4-cyano-cyclohexane-1-carboxylic acid | SCHEMBL7338818 | KJZWYCAIEUYAIW-LJGSYFOKSA-N | Trans-4-cyanocyclohexane

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Spécifications

Synonymes

4-cyanocyclohexane-1-carboxylic Acid | Trans-4-cyanocyclohexanecarboxylic acid | cis-4-cyanocyclohexanecarboxylic acid | DTXSID50435944 | trans-4-cyano-cyclohexane-1-carboxylic acid | SCHEMBL7338818 | KJZWYCAIEUYAIW-LJGSYFOKSA-N | Trans-4-cyanocyclohexane

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

508812811

Sourires canoniques

C1CC(CCC1C#N)C(=O)O

IUPAC Name

4-cyanocyclohexane-1-carboxylic acid

InChIKey

KJZWYCAIEUYAIW-UHFFFAOYSA-N

INCHI

1S/C8H11NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-4H2,(H,10,11)

Isomères SMILES

C1CC(CCC1C#N)C(=O)O

PubChem CID

10130061

Poids moléculaire

153.18

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: Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: 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: 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: 153.180 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.079 Da
• Monoisotopic Mass: 153.079 Da
• Topological Polar Surface Area: 61.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 195.000
• 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