(2E,4E)-5-Phenyl-2,4-pentadienoic Acid - ≥98% , CAS No.28010-12-0

CAS: 28010-12-0 Cat. No.: E404888 Summenformel: C₁₁H₁₀O₂ Molekulargewicht: 174.2 EG-Nummer: 803-600-8

GRADE & PURITY ≥98%

Synonyms

cinnamylidenessigsäure | NCGC00095798-02 | (2E,4E)-5-Phenyl-2,4-pentadiensäure | J-507259 | SR-05000002408 | 5-PHENYLPENTA-2,4-DIENOICACID | BRD-K12345912-001-03-1 | NSC 109408 | NSC-1778 | J-515930 | 1047682-56-3 | 2,4-Pentadiensäure, 5

Storage

Room temperature

Übersicht

Maximale Absorptionswellenlänge:300(EtOH)nm

Specifications

Synonyme

cinnamylidenessigsäure | NCGC00095798-02 | (2E,4E)-5-Phenyl-2,4-pentadiensäure | J-507259 | SR-05000002408 | 5-PHENYLPENTA-2,4-DIENOICACID | BRD-K12345912-001-03-1 | NSC 109408 | NSC-1778 | J-515930 | 1047682-56-3 | 2,4-Pentadiensäure, 5

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508806480
• Kanonisches Lächeln: C1=CC=C(C=C1)C=CC=CC(=O)O
• IUPAC Name: (2E,4E)-5-phenylpenta-2,4-dienoic acid
• InChIKey: FEIQOMCWGDNMHM-KBXRYBNXSA-N
• INCHI: 1S/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-9H,(H,12,13)/b8-4+,9-5+
• Isomere SMILES: C1=CC=C(C=C1)/C=C/C=C/C(=O)O
• Molekulargewicht: 174.2
• Reaxy-Rn: 2042414
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042414&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Medium-chain fatty acids Unsaturated fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Medium-chain fatty acid - Styrene - Fatty acyl - Fatty acid - Unsaturated fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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

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PANC-1 (6144 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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Mus musculus (284745 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 168 °C
• Molekulargewicht: 174.200 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 174.068 Da
• Monoisotopic Mass: 174.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 210.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1