3-(2,4-Dimethoxyphenyl)propionic acid - ≥97% , CAS No.22174-29-4

CAS: 22174-29-4 Cat. No.: D168714 Formule: C₁₁H₁₄O₄ Poids moléculaire: 210.23 Numéro CE: 691-919-1

QUALITÉ & PURETÉ ≥97%

Synonyms

MFCD00598205 | 2,4-Dimethoxy-benzenepropanoic acid | 3-(2,4-dimethoxyphenyl)propanoic Acid | 3-(2,4-dimethoxyphenyl) propionic acid | AKOS000193324 | 3-(2,4-dimethoxyphenyl)propanoicAcid | 3-(2 4-DIMETHOXYPHENYL)PROPIONIC ACID | SCHEMBL490637 | J-014565 |

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

MFCD00598205 | 2,4-Dimethoxy-benzenepropanoic acid | 3-(2,4-dimethoxyphenyl)propanoic Acid | 3-(2,4-dimethoxyphenyl) propionic acid | AKOS000193324 | 3-(2,4-dimethoxyphenyl)propanoicAcid | 3-(2 4-DIMETHOXYPHENYL)PROPIONIC ACID | SCHEMBL490637 | J-014565 |

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488194625

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194625

Sourires canoniques

COC1=CC(=C(C=C1)CCC(=O)O)OC

IUPAC Name

3-(2,4-dimethoxyphenyl)propanoic acid

InChIKey

NVDCWSFMCUWKAL-UHFFFAOYSA-N

INCHI

1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)

Isomères SMILES

COC1=CC(=C(C=C1)CCC(=O)O)OC

WGK Allemagne

3

Poids moléculaire

210.23

Reaxy-Rn

2697397

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2697397&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic 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

Propriétés chimiques et physiques

• Poids moléculaire: 210.230 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.089 Da
• Monoisotopic Mass: 210.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 205.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

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.

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 22174-29-4, the molecular formula is C11H14O4, and the molecular weight is 210.23 g/mol. InChIKey NVDCWSFMCUWKAL-UHFFFAOYSA-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.