Cyelohexanecarboxylic acid - 10mM in DMSO , CAS No.98-89-5

CAS: 98-89-5 Cat. No.: C427212 Formula: C₇H₁₂O₂ Peso molecolare: 128.17 Beilstein Registry Number: 970529 Numero EC: 202-711-3

GRADE & PURITY 10mM in DMSO

Synonyms

Cyclohexanecarboxylic acid, 98% | AI3-01854 | AKOS000119768 | F2191-0111 | CHEBI:36096 | CYCLOHEXANECARBOXYLIC ACID [MI] | L-N-METHYLEPHEDRINEHYDROCHLORIDE | 3,4-dichloro-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]benzamide | DTXSID8059180 | NSC452 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinonimi

Cyclohexanecarboxylic acid, 98% | AI3-01854 | AKOS000119768 | F2191-0111 | CHEBI:36096 | CYCLOHEXANECARBOXYLIC ACID [MI] | L-N-METHYLEPHEDRINEHYDROCHLORIDE | 3,4-dichloro-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]benzamide | DTXSID8059180 | NSC452 |

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Cyclohexanecarboxylic acid undergoes microbial degradation by a strain of Antherobacter to form para-hydroxybenzoic acid. Cyclohexanecarboxylic acid undergoes aromatization and converts to Hippuric acid in rat liver extracts in vitro. Cyclohexanecarboxyli

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

528773252

Sorrisi canonici

C1CCC(CC1)C(=O)O

IUPAC Name

cyclohexanecarboxylic acid

InChIKey

NZNMSOFKMUBTKW-UHFFFAOYSA-N

INCHI

1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)

Isomeri SMILES

C1CCC(CC1)C(=O)O

WGK Germania

2

RTECS

GU8370000

Peso molecolare

128.17

Beilstein

970529

Reaxy-Rn

970529

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970529&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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di congelamento (°C): 27 °C
• Indice di rifrazione: 1.453
• Punto di infiammabilità (°C): ＞112℃
• Punto di ebollizione (°C): 232.5°C
• Punto di fusione (°C): 30-32°C
• Peso molecolare: 128.169 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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