1,1-Cyclohexanediacetic acid - ≥98% , CAS No.4355-11-7

CAS: 4355-11-7 Cat. No.: C101378 Fórmula: C₁₀H₁₆O₄ Peso molecular: 200.23 Número EC: 224-427-9

GRADE & PURITY ≥98%

Synonyms

UNII-NZ67L3M8GX | AM20070546 | EINECS 224-427-9 | Z104477438 | SCHEMBL98282 | Cyclohexane-1,1'-diacetic acid | 1,1-Cyclohexane diacetic acid | NSC 169443 | 2,2'-(Cyclohexane-1,1-diyl)diacetic acid | NSC 39839 | Philips 1908 | SY002151 | di-n-octylsulfoxid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

UNII-NZ67L3M8GX | AM20070546 | EINECS 224-427-9 | Z104477438 | SCHEMBL98282 | Cyclohexane-1,1'-diacetic acid | 1,1-Cyclohexane diacetic acid | NSC 169443 | 2,2'-(Cyclohexane-1,1-diyl)diacetic acid | NSC 39839 | Philips 1908 | SY002151 | di-n-octylsulfoxid

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185502
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185502
• Sonrisas canónicas: C1CCC(CC1)(CC(=O)O)CC(=O)O
• IUPAC Name: 2-[1-(carboxymethyl)cyclohexyl]acetic acid
• InChIKey: YQPCHPBGAALCRT-UHFFFAOYSA-N
• INCHI: 1S/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14)
• Isómeros SMILES: C1CCC(CC1)(CC(=O)O)CC(=O)O
• WGK Alemania: 3
• Peso molecular: 200.23
• Reaxy-Rn: 2504442
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2504442&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 181-185°C
• Peso molecular: 200.230 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 200.105 Da
• Monoisotopic Mass: 200.105 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 210.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4355-11-7, the molecular formula is C10H16O4, and the molecular weight is 200.23 g/mol. InChIKey YQPCHPBGAALCRT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.