Pinic Acid - ≥95%, Mixture of Diastereomers , CAS No.28664-02-0

CAS: 28664-02-0 Cat. No.: P340784 Summenformel: C₉H₁₄O₄ Molekulargewicht: 186.21

GRADE & PURITY ≥95%, Mixture of Diastereomers

Synonyms

(3-carboxy-2,2-dimethyl-cyclobutyl)-acetic acid | DTXSID20951323 | MLS002637644 | Pinic acid | 3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid | SCHEMBL6152852 | CYCLOBUTANEACETIC ACID, 3-CARBOXY-2,2-DIMETHYL- | Cis-Pinic Acid | NSC2802 | NSC-

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Pinic Acid (Diastereomeric Mixture) can be used to prepare pinic acid diamides as herbicides.

Specifications

Synonyme

(3-carboxy-2,2-dimethyl-cyclobutyl)-acetic acid | DTXSID20951323 | MLS002637644 | Pinic acid | 3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid | SCHEMBL6152852 | CYCLOBUTANEACETIC ACID, 3-CARBOXY-2,2-DIMETHYL- | Cis-Pinic Acid | NSC2802 | NSC-

Spezifikationen & Reinheit

≥95%, Mixture of Diastereomers

Storage

Protected from light,Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504751904
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751904
• Kanonisches Lächeln: CC1(C(CC1C(=O)O)CC(=O)O)C
• IUPAC Name: 3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
• InChIKey: LEVONNIFUFSRKZ-UHFFFAOYSA-N
• INCHI: 1S/C9H14O4/c1-9(2)5(4-7(10)11)3-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
• Isomere SMILES: CC1(C(CC1C(=O)O)CC(=O)O)C
• Molekulargewicht: 186.21
• Reaxy-Rn: 1955350
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1955350&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Acetonitrile (slightly) and Methanol (slightly).
• Empfindlichkeit: light sensitive
• Schmelzpunkt (°C): >54° C (dec.)
• Molekulargewicht: 186.200 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.089 Da
• Monoisotopic Mass: 186.089 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 244.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1