Calcium oxalate monohydrate - ≥97% , CAS No.5794-28-5

CAS: 5794-28-5 Cat. No.: C1491923 Peso molecular: 146.11 Beilstein Registry Number: 3757668 Número EC: 638-840-0

GRADE & PURITY ≥97%

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C(=O)(C(=O)[O-])[O-].O.[Ca+2]
• IUPAC Name: calcium;oxalate;hydrate
• InChIKey: LQHWSGSWNOHVHO-UHFFFAOYSA-L
• INCHI: 1S/C2H2O4.Ca.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2/q;+2;/p-2
• Isómeros SMILES: C(=O)(C(=O)[O-])[O-].O.[Ca+2]
• WGK Alemania: 3
• CAS alternativo: 563-72-4
• Peso molecular: 146.11
• Beilstein: 3757668
• Reaxy-Rn: 3757668
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3757668&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 acid salts Organic calcium salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic calcium salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic 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: Slightly soluble in water.
• Sensibilidad: Hygroscopic
• Peso molecular: 146.110 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 145.953 Da
• Monoisotopic Mass: 145.953 Da
• Topological Polar Surface Area: 81.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 60.500
• 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: 3

XLogP3

Referencias

1. Xiaofei Guo, Guojie Zhang, Chenlei Wu, Jun Liu, Guoqiang Li, Yuqiong Zhao, Ying Wang, Ying Xu.  (2021)  A cost-effective synthesis of heteroatom-doped porous carbon by sulfur-containing waste liquid treatment: As a promising adsorbent for CO2 capture.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2021.105165]

2. Qiuying Li, Tenghui Chen, Lewen Sun, Weihong Guo, Chifei Wu.  (2018)  Cross-linked ultra-high-molecular-weight polyethylene prepared by silane-induced cross-linking under in situ development of water.  ADVANCES IN POLYMER TECHNOLOGY,  37  (8): (2859-2865).  [PMID:] [10.1002/adv.21957]

3. Chen Tenghui, Li Qiuying, Fu Zhiwei, Sun Lewen, Guo Weihong, Wu Chifei.  (2017)  The shape memory effect of crosslinked ultra-high-molecular-weight polyethylene prepared by silane-induced crosslinking method.  POLYMER BULLETIN,  75  (5): (2181-2196).  [PMID:] [10.1007/s00289-017-2144-6]