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

CAS: 28010-12-0 Cat. No.: E404888 Formule: C₁₁H₁₀O₂ Poids moléculaire: 174.2 Numéro CE: 803-600-8

GRADE & PURITY ≥98%

Synonyms

cinnamylidene acetic acid | NCGC00095798-02 | (2E,4E)-5-phenyl-2,4-pentadienoic acid | J-507259 | SR-05000002408 | 5-PHENYLPENTA-2,4-DIENOICACID | BRD-K12345912-001-03-1 | NSC 109408 | NSC1778 | NSC-1778 | J-515930 | 1047682-56-3 | 2,4-Pentadienoicacid, 5

Storage

Room temperature

Vue d’ensemble

Maximum Absorption Wavelength:300(EtOH)nm

Specifications

Synonymes

cinnamylidene acetic acid | NCGC00095798-02 | (2E,4E)-5-phenyl-2,4-pentadienoic acid | J-507259 | SR-05000002408 | 5-PHENYLPENTA-2,4-DIENOICACID | BRD-K12345912-001-03-1 | NSC 109408 | NSC1778 | NSC-1778 | J-515930 | 1047682-56-3 | 2,4-Pentadienoicacid, 5

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 508806480
• Sourires canoniques: 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+
• Isomères SMILES: C1=CC=C(C=C1)/C=C/C=C/C(=O)O
• Poids moléculaire: 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
    • Classe Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Cibles associées (humaines)

PANC-1 (6144 Activities)

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

Discover Target: SLCO1B1

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Cibles associées (non humaines)

Mus musculus (284745 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 168 °C
• Poids moléculaire: 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