2,4-Dimethoxy-β-methylcinnamic Acid - ≥98% , CAS No.7706-67-4

CAS: 7706-67-4 Cat. No.: D155054 Formule: C₁₂H₁₄O₄ Poids moléculaire: 222.24 Numéro CE: 616-433-9

GRADE & PURITY ≥98%

Synonyms

6-NITRO-9-ETHYLCARBAZOLE | DTXCID80809957 | (2E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid | NCGC00253727-01 | Acidum dimecroticum | DTXSID1057826 | EN300-749038 | Molnia (TN) | Tox21_113846 | SCHEMBL9445631 | MFCD00512029 | 2,4-Dimethoxy-beta-methylcinnami

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

6-NITRO-9-ETHYLCARBAZOLE | DTXCID80809957 | (2E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid | NCGC00253727-01 | Acidum dimecroticum | DTXSID1057826 | EN300-749038 | Molnia (TN) | Tox21_113846 | SCHEMBL9445631 | MFCD00512029 | 2,4-Dimethoxy-beta-methylcinnami

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488195797
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195797
• Sourires canoniques: CC(=CC(=O)O)C1=C(C=C(C=C1)OC)OC
• IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid
• InChIKey: VNLOISSPTMDCIF-SOFGYWHQSA-N
• INCHI: 1S/C12H14O4/c1-8(6-12(13)14)10-5-4-9(15-2)7-11(10)16-3/h4-7H,1-3H3,(H,13,14)/b8-6+
• Isomères SMILES: C/C(=C\C(=O)O)/C1=C(C=C(C=C1)OC)OC
• Poids moléculaire: 222.24
• Reaxy-Rn: 2696823
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2696823&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Cinnamic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids
• Alternative Parents: Dimethoxybenzenes Phenylpropenes 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 - Dimethoxybenzene - M-dimethoxybenzene - Phenylpropene - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic homomonocyclic compound
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Dimethylformamide
• Point de fusion (°C): 158 °C
• Poids moléculaire: 222.240 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 222.089 Da
• Monoisotopic Mass: 222.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 272.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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

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

The CAS Number is 7706-67-4, the molecular formula is C12H14O4, and the molecular weight is 222.24 g/mol. InChIKey VNLOISSPTMDCIF-SOFGYWHQSA-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.