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

CAS: 4355-11-7 Cat. No.: C101378 Formule: C₁₀H₁₆O₄ Poids moléculaire: 200.23 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488185502

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185502

Sourires canoniques

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)

Isomères SMILES

C1CCC(CC1)(CC(=O)O)CC(=O)O

WGK Allemagne

3

Poids moléculaire

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
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 181-185°C
• Poids moléculaire: 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

Foire aux questions

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.