4-Phenyl-cyclohexanecarboxylic acid - ≥95% , CAS No.7494-76-0

CAS: 7494-76-0 Cat. No.: P337374 Fórmula: C₁₃H₁₆O₂ Peso molecular: 204.27 Número CE: 691-418-8 PubChem CID: 344812

GRAU & PUREZA ≥95%

Synonyms

SCHEMBL2511695 | Boc-6-aminohexanoic acid;Boc-Ahx-OH | D76233 | DTXSID10996445 | trans-4-Phenylcyclohexanecarboxylic acid | SYYSTPDYCASVSQ-HAQNSBGRSA-N | Z792377166 | 4-phenylcyclohexane-1-carboxylic acid | SR-01000388878 | 4-Phenylcyclohexanecarboxylic a

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

a useful building block for organic synthesis and general proteomics research.

Especificações

Sinónimos

SCHEMBL2511695 | Boc-6-aminohexanoic acid;Boc-Ahx-OH | D76233 | DTXSID10996445 | trans-4-Phenylcyclohexanecarboxylic acid | SYYSTPDYCASVSQ-HAQNSBGRSA-N | Z792377166 | 4-phenylcyclohexane-1-carboxylic acid | SR-01000388878 | 4-Phenylcyclohexanecarboxylic a

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488189556

Sorrisos canónicos

C1CC(CCC1C2=CC=CC=C2)C(=O)O

IUPAC Name

4-phenylcyclohexane-1-carboxylic acid

InChIKey

SYYSTPDYCASVSQ-UHFFFAOYSA-N

INCHI

1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,14,15)

SMILES isoméricas

C1CC(CCC1C2=CC=CC=C2)C(=O)O

PubChem CID

344812

Peso molecular

204.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propriedades químicas e físicas

• Peso molecular: 204.260 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.115 Da
• Monoisotopic Mass: 204.115 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 211.000
• 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