Potassium cinnamate - ≥99%(HPLC) , CAS No.16089-48-8

CAS: 16089-48-8 Cat. No.: C167677 Summenformel: C₉H₇KO₂ Molekulargewicht: 186.257

GRADE & PURITY ≥99%(HPLC)

Synonyms

IWHVCHNCTHGORM-UHDJGPCESA-M | AKOS015891433 | potassium 3-phenylprop-2-enoate | 2-Propenoic acid, 3-phenyl-, potassium salt | EINECS 240-244-7 | Potassium cinnamate | potassium;(E)-3-phenylprop-2-enoate | Cinnamic acid, potassium salt | AS-68021 | kaliumc

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

IWHVCHNCTHGORM-UHDJGPCESA-M | AKOS015891433 | potassium 3-phenylprop-2-enoate | 2-Propenoic acid, 3-phenyl-, potassium salt | EINECS 240-244-7 | Potassium cinnamate | potassium;(E)-3-phenylprop-2-enoate | Cinnamic acid, potassium salt | AS-68021 | kaliumc

Spezifikationen & Reinheit

≥99%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%(HPLC)

Namen und Kennungen

Pubchem Sid

504769605

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769605

Kanonisches Lächeln

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

IUPAC Name

potassium;(E)-3-phenylprop-2-enoate

InChIKey

IWHVCHNCTHGORM-UHDJGPCESA-M

INCHI

1S/C9H8O2.K/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,10,11);/q;+1/p-1/b7-6+;

Isomere SMILES

C1=CC=C(C=C1)/C=C/C(=O)[O-].[K+]

Molekulargewicht

186.257

Reaxy-Rn

6245814

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6245814&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamic acids and derivatives
      • Subclass Cinnamic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamic acids and derivatives
• Subclass: Cinnamic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids
• Alternative Parents: Styrenes Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Styrene - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 186.250 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.008 Da
• Monoisotopic Mass: 186.008 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3