3-(4-Ethoxyphenyl)propanoic acid - ≥95% , CAS No.4919-34-0

CAS: 4919-34-0 Cat. No.: E184752 Formula: C₁₁H₁₄O₃ Peso molecolare: 194.2 Numero EC: 676-480-6

GRADE & PURITY ≥95%

Synonyms

3-(4-ethoxyphenyl)propanoic acid|4919-34-0|3-(4-ETHOXYPHENYL)PROPIONIC ACID|4-Ethoxybenzenepropanoic acid|MFCD00016557|benzenepropanoic acid, 4-ethoxy-|3-(4-Ethoxyphenyl)propanoicacid|NSC157580|Maybridge4_000643|SCHEMBL1205605|DTXSID20303262|ZDSHOEQSCJOGC

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

3-(4-ethoxyphenyl)propanoic acid | 4919-34-0 | 3-(4-ETHOXYPHENYL)PROPIONIC ACID | 4-Ethoxybenzenepropanoic acid | MFCD00016557 | benzenepropanoic acid, 4-ethoxy- | 3-(4-Ethoxyphenyl)propanoicacid | NSC157580 | Maybridge4_000643 | SCHEMBL1205605 | DTXSID20303262 | ZDSHOEQSCJOGC

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488189321

Sorrisi canonici

CCOC1=CC=C(C=C1)CCC(=O)O

IUPAC Name

3-(4-ethoxyphenyl)propanoic acid

InChIKey

ZDSHOEQSCJOGCK-UHFFFAOYSA-N

INCHI

1S/C11H14O3/c1-2-14-10-6-3-9(4-7-10)5-8-11(12)13/h3-4,6-7H,2,5,8H2,1H3,(H,12,13)

Isomeri SMILES

CCOC1=CC=C(C=C1)CCC(=O)O

Peso molecolare

194.2

Reaxy-Rn

2693304

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2693304&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: Phenoxy compounds Phenol ethers Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 194.230 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094 Da
• Monoisotopic Mass: 194.094 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 171.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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 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 4919-34-0, the molecular formula is C11H14O3, and the molecular weight is 194.2 g/mol. InChIKey ZDSHOEQSCJOGCK-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.