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

CAS: 28664-02-0 Cat. No.: P340784 分子式: C₉H₁₄O₄ 分子量: 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

概要

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

Specifications

同義語

(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-

仕様と純度

≥95%, Mixture of Diastereomers

保管条件

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

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• パブケム・シド: 504751904
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504751904
• カノニカル・スマイル: 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)
• 異性体SMILES: CC1(C(CC1C(=O)O)CC(=O)O)C
• 分子量: 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
    • 分類 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Acetonitrile (slightly) and Methanol (slightly).
• 感度: light sensitive
• 融点（°C）: >54° C (dec.)
• 分子量: 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