trans-2,4-Dimethoxycinnamic acid - ≥95% , CAS No.16909-09-4

CAS: 16909-09-4 Cat. No.: I167827 Summenformel: C₁₁H₁₂O₄ Molekulargewicht: 208.21

GRADE & PURITY ≥95%

Synonyms

(2E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid | D2364 | trans-2,4-Dimethoxycinnamic acid | trans-2,4-Dimethoxycinnamic acid, 98% | 2',4'-Dimethoxycinnamic acid | 2,4-Dimethoxycinnamic acid | STL371984 | (E)-2',4'-Dimethoxycinnamic acid | (E)-3-(2,4-dimeth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

(2E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid | D2364 | trans-2,4-Dimethoxycinnamic acid | trans-2,4-Dimethoxycinnamic acid, 98% | 2',4'-Dimethoxycinnamic acid | 2,4-Dimethoxycinnamic acid | STL371984 | (E)-2',4'-Dimethoxycinnamic acid | (E)-3-(2,4-dimeth

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504760016
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760016
• Kanonisches Lächeln: COC1=CC(=C(C=C1)C=CC(=O)O)OC
• IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
• InChIKey: YIKHDPHTFYWYJV-GQCTYLIASA-N
• INCHI: 1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
• Isomere SMILES: COC1=CC(=C(C=C1)/C=C/C(=O)O)OC
• WGK Deutschland: 3
• Molekulargewicht: 208.21
• Reaxy-Rn: 2695144
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2695144&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: Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 192-194° C (lit.)
• Molekulargewicht: 208.210 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.074 Da
• Monoisotopic Mass: 208.074 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 237.000
• 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

Häufig gestellte Fragen

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 16909-09-4, the molecular formula is C11H12O4, and the molecular weight is 208.21 g/mol. InChIKey YIKHDPHTFYWYJV-GQCTYLIASA-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.