(+)-Camphoric acid - ≥98% , CAS No.124-83-4

CAS: 124-83-4 Cat. No.: C1373703 Peso molecular: 200.23 Beilstein Registry Number: 9745 Número EC: 204-715-0

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1(C(CCC1(C)C(=O)O)C(=O)O)C
• IUPAC Name: (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
• InChIKey: LSPHULWDVZXLIL-LDWIPMOCSA-N
• INCHI: 1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,10+/m1/s1
• Isómeros SMILES: C[C@]1(CC[C@@H](C1(C)C)C(=O)O)C(=O)O
• WGK Alemania: 2
• Peso molecular: 200.23
• Beilstein: 9745
• Reaxy-Rn: 2050202
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050202&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

• Solubilidad: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
• Rotación específica [α]: 46 ° (C=5, EtOH)
• Punto de fusión (°C): 183-187°C
• Peso molecular: 200.230 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• 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: 282.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Referencias

1. Cai-Fang Liu, Xiao-Yan Ran, Cheng Liu, Yu-lan Zhu, Yan-Rui Lu, Yu-Ping Yang, Bang-Jin Wang, Jun-Hui Zhang, Sheng-Ming Xie, Li-Ming Yuan:.  (2023)  Chiral metal–organic framework [Zn2(D-Cam)2(4,4′-bpy)]n@SiO2 core–shell composite for HPLC separation.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.109569]

2. Miao Pandeng, Li Yuchen, Du Yingxiang.  (2023)  Dual-ligand 3D lammelar chiral metal–organic framework for capillary electrochromatographic enantioseparations.  MICROCHIMICA ACTA,  190  (8): (1-11).  [PMID:37464133] [10.1007/s00604-023-05890-0]

3. Huijuan Han, Shujun Chao, Xiaoli Yang, Xiaobing Wang, Kui Wang, Zhengyu Bai, Lin Yang.  (2017)  Ni nanoparticles embedded in N doped carbon nanotubes derived from a metal organic framework with improved performance for oxygen evolution reaction.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2017.05.043]

4. Duo Xu, Bowen Du, Yantian Ji, Huimin Sun, Tiecheng Wang, Xianqiang Yin.  (2024)  Stereoselective transport of 2-aryl propionic acid enantiomers in porous media subjected to chiral organic acids.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38377915] [10.1016/j.jhazmat.2024.133824]