Calcium phenylpyruvate - ≥95% , CAS No.54865-40-6

CAS: 54865-40-6 Cat. No.: C185150 Summenformel: C₁₈H₁₄CaO₆ Molekulargewicht: 366.4

GRADE & PURITY ≥95%

Synonyms

Phenylpyruvic acid calcium salt|Calcium phenylpyruvate|54865-40-6|Bis(benzenepyruvato)calcium|EINECS 259-380-3|MFCD00037200|Calcium phenylpyruvate, purum, >=98.0% (dry substance, NT)

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Phenylpyruvic acid calcium salt | Calcium phenylpyruvate | 54865-40-6 | Bis(benzenepyruvato)calcium | EINECS 259-380-3 | MFCD00037200 | Calcium phenylpyruvate, purum, >=98.0% (dry substance, NT)

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C(C=C1)CC(=O)C(=O)[O-].C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Ca+2]

IUPAC Name

calcium;2-oxo-3-phenylpropanoate

InChIKey

BKMMOJVSLBZNTK-UHFFFAOYSA-L

INCHI

1S/2C9H8O3.Ca/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,11,12);/q;;+2/p-2

Isomere SMILES

C1=CC=C(C=C1)CC(=O)C(=O)[O-].C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Ca+2]

Molekulargewicht

366.4

Reaxy-Rn

11224927

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11224927&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylpyruvic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenylpyruvic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyruvic acid derivatives
• Alternative Parents: Phenylpropanoic acids Alpha-keto acids and derivatives Ketones Carboxylic acid salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Phenylpyruvate - 3-phenylpropanoic-acid - Alpha-keto acid - Keto acid - Carboxylic acid salt - Ketone - Organic calcium salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
• 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