Phenyl (E)-Cinnamate - ≥97% , CAS No.25695-77-6

CAS: 25695-77-6 Cat. No.: P404908 Formula: C₁₅H₁₂O₂ Peso molecolare: 224.26 PubChem CID: 785207

GRADE & PURITY ≥97%

Synonyms

AKOS001576561 | P2519 | trans-3-phenyl-prop-2-enoic acid phenyl ester | NSC21000 | NSC-21000 | Phenyl(2E)-3-phenyl-2-propenoate | SCHEMBL1055160 | Zimtsaure-phenylester | Cinnamic acid, phenyl ester | Phenyl(E)-3-phenylacrylate | NSC 21000 | (E)-Cinnamic

Storage

Room temperature

Panoramica

Maximum Absorption Wavelength:285(MeOH)nm

Specifications

Sinonimi

AKOS001576561 | P2519 | trans-3-phenyl-prop-2-enoic acid phenyl ester | NSC21000 | NSC-21000 | Phenyl(2E)-3-phenyl-2-propenoate | SCHEMBL1055160 | Zimtsaure-phenylester | Cinnamic acid, phenyl ester | Phenyl(E)-3-phenylacrylate | NSC 21000 | (E)-Cinnamic

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488191475
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191475
• Sorrisi canonici: C1=CC=C(C=C1)C=CC(=O)OC2=CC=CC=C2
• IUPAC Name: phenyl (E)-3-phenylprop-2-enoate
• InChIKey: NBFNGRDFKUJVIN-VAWYXSNFSA-N
• INCHI: 1S/C15H12O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
• Isomeri SMILES: C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=CC=C2
• PubChem CID: 785207
• Peso molecolare: 224.26
• Reaxy-Rn: 1284112

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives
      • Subclass Cinnamic acid esters

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Cinnamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid esters
• Alternative Parents: Phenol esters Styrenes Phenoxy compounds Fatty acid esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid ester - Phenol ester - Phenoxy compound - Styrene - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic 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

Obiettivi associati (non umani)

17HSDcl 17-beta-hydroxysteroid-dehydrogenase (43 Activities)

Discover Target: 17HSDcl

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 207 °C/12 mmHg
• Punto di fusione (°C): 76 °C
• Peso molecolare: 224.250 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 224.084 Da
• Monoisotopic Mass: 224.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 258.000
• 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: 1

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% 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 25695-77-6, the molecular formula is C15H12O2, and the molecular weight is 224.26 g/mol. InChIKey NBFNGRDFKUJVIN-VAWYXSNFSA-N.

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.