Calcium succinate (USP) - ≥95% , CAS No.159389-75-0

CAS: 159389-75-0 Cat. No.: C962880 分子式: C₄H₆CaO₅ 分子量: 174.17 PubChem CID: 22257197

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

仕様と純度

≥95%

保管条件

Room temperature

純度

≥95%

名前と識別子

• カノニカル・スマイル: C(CC(=O)[O-])C(=O)[O-].O.[Ca+2]
• IUPAC Name: calcium;butanedioate;hydrate
• InChIKey: QGRXCSKZKNYHEQ-UHFFFAOYSA-L
• INCHI: 1S/C4H6O4.Ca.H2O/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;1H2/q;+2;/p-2
• 異性体SMILES: C(CC(=O)[O-])C(=O)[O-].O.[Ca+2]
• PubChem CID: 22257197
• 分子量: 174.17

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: Fatty acids and conjugates Carboxylic acid salts Organic calcium salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid - 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 - Organic cation - Aliphatic acyclic 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

化学的性質と物理的性質

• 分子量: 174.170 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 173.984 Da
• Monoisotopic Mass: 173.984 Da
• Topological Polar Surface Area: 81.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 81.600
• 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

よくある質問

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 159389-75-0, the molecular formula is C4H6CaO5, and the molecular weight is 174.17 g/mol. InChIKey QGRXCSKZKNYHEQ-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.