3-(2,3-Dihydroxyphenyl)propionic Acid - ≥95% , CAS No.3714-73-6

CAS: 3714-73-6 Cat. No.: D358040 Formula: C₉H₁₀O₄ Peso molecolare: 182.17 Beilstein Registry Number: 2213449} Numero EC: 884-891-9

GRADE & PURITY ≥95%

Synonyms

3-(2,3-dihydroxyphenyl)propionic acid | Q27102847 | FT-0667093 | AKOS024162368 | 2,3-dihydroxy-beta-phenylpropionic acid | 2,3-DHP | PUH669YNEK | 2,3-Dhppa | 2,3-Dihydroxy-benzenepropanoic acid | Benzenepropanoic acid, 2,3-dihydroxy- | 2,3-dihyrroxybenzen

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

3-(2,3-dihydroxyphenyl)propionic acid | Q27102847 | FT-0667093 | AKOS024162368 | 2,3-dihydroxy-beta-phenylpropionic acid | 2,3-DHP | PUH669YNEK | 2,3-Dhppa | 2,3-Dihydroxy-benzenepropanoic acid | Benzenepropanoic acid, 2,3-dihydroxy- | 2,3-dihyrroxybenzen

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504750341

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750341

Sorrisi canonici

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

IUPAC Name

3-(2,3-dihydroxyphenyl)propanoic acid

InChIKey

QZDSXQJWBGMRLU-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

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

Peso molecolare

182.17

Beilstein

2213449}

Reaxy-Rn

2938830

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2938830&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: Catechols 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 - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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: monocarboxylic acid

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

• Solubilità: Soluble in DMSO, and methanol.
• Indice di rifrazione: n20D1.62 (Predicted)
• Punto di ebollizione (°C): ~399.8° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 119-121° C
• Peso molecolare: 182.170 g/mol
• XLogP3: 1.000
• 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

Domande frequenti

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 3714-73-6, the molecular formula is C9H10O4, and the molecular weight is 182.17 g/mol. InChIKey QZDSXQJWBGMRLU-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.