acide 1,2,4,5-Cyclohexanetetracarboxylique - ≥98% , CAS No.15383-49-0

CAS: 15383-49-0 Cat. No.: C153560 Formule: C₁₀H₁₂O₈ Poids moléculaire: 260.2 Beilstein Registry Number: 9(3)4849 Numéro CE: 625-764-8

GRADE & PURITY ≥98%

Synonyms

DS-7284 | CHEBI:191087 | cyclohexane-1,2,4,5-tetracarboxylicacid | CYCLOHEXANE-1 2 4 5-TETRACARBOXYLIC ACI | EU-0071256 | 1,2,4,5-cyclohexanetetracarboxylic | MFCD00435556 | SCHEMBL65025 | ZPAKUZKMGJJMAA-UHFFFAOYSA-N | FT-0753730 | C10H12O8 | 1,2,4,5-cycl

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

DS-7284 | CHEBI:191087 | cyclohexane-1,2,4,5-tetracarboxylicacid | CYCLOHEXANE-1 2 4 5-TETRACARBOXYLIC ACI | EU-0071256 | 1,2,4,5-cyclohexanetetracarboxylic | MFCD00435556 | SCHEMBL65025 | ZPAKUZKMGJJMAA-UHFFFAOYSA-N | FT-0753730 | C10H12O8 | 1,2,4,5-cycl

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504762227

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762227

Sourires canoniques

C1C(C(CC(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O

IUPAC Name

cyclohexane-1,2,4,5-tetracarboxylic acid

InChIKey

ZPAKUZKMGJJMAA-UHFFFAOYSA-N

INCHI

1S/C10H12O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h3-6H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)

Isomères SMILES

C1C(C(CC(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O

WGK Allemagne

3

Poids moléculaire

260.2

Beilstein

9(3)4849

Reaxy-Rn

2627009

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2627009&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Tetracarboxylic 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 tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl 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

• Solubilité: Soluble in water
• Sensibilité: Moisture sensitive.
• Point de fusion (°C): 271°C
• Poids moléculaire: 260.200 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 260.053 Da
• Monoisotopic Mass: 260.053 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 327.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1