3-(2,4-Dihydroxyphenyl)propionic acid - ≥95%(HPLC) , CAS No.5631-68-5

CAS: 5631-68-5 Cat. No.: D171002 Fórmula: C₉H₁₀O₄ Peso molecular: 182.17

GRADE & PURITY ≥95%(HPLC)

Synonyms

A869973 | HY-N1750 | NCIOpen2_000618 | STL034241 | (E)-3-(methyl(phenyl)amino)acrylaldehyde | MFCD00143017 | AB92943 | NSC 71551 | AI3-13072 | 3-(2,4-dihydroxyphenyl)propanoic acid | HMCMTJPPXSGYJY-UHFFFAOYSA-N | EN300-37040 | 2,4-Dihydroxyhydrocinnamic a

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product Application:

3-(2,4-Dihydroxyphenyl)propionic acid (DHPPA) may be used as substrate for the o-diphenolase in microplate assays of serum and hemocyte supernatants from QXR3 and wild type oysters for the quantitation of o-diphenolase activity.

Specifications

Sinónimos

A869973 | HY-N1750 | NCIOpen2_000618 | STL034241 | (E)-3-(methyl(phenyl)amino)acrylaldehyde | MFCD00143017 | AB92943 | NSC 71551 | AI3-13072 | 3-(2,4-dihydroxyphenyl)propanoic acid | HMCMTJPPXSGYJY-UHFFFAOYSA-N | EN300-37040 | 2,4-Dihydroxyhydrocinnamic a

Especificaciones y pureza

≥95%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%(HPLC)

Nombres e identificadores

Pubchem Sid

504756316

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756316

Sonrisas canónicas

C1=CC(=C(C=C1O)O)CCC(=O)O

IUPAC Name

3-(2,4-dihydroxyphenyl)propanoic acid

InChIKey

HMCMTJPPXSGYJY-UHFFFAOYSA-N

INCHI

1S/C9H10O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)

Isómeros SMILES

C1=CC(=C(C=C1O)O)CCC(=O)O

WGK Alemania

3

Peso molecular

182.17

Reaxy-Rn

2694769

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2694769&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Resorcinols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 158-162°C
• Peso molecular: 182.170 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.058 Da
• Monoisotopic Mass: 182.058 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 180.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 5631-68-5, the molecular formula is C9H10O4, and the molecular weight is 182.17 g/mol. InChIKey HMCMTJPPXSGYJY-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.