3-Phenoxymandelic acid - ≥95% , CAS No.66637-86-3

CAS: 66637-86-3 Cat. No.: P492384 Formula: C₁₄H₁₂O₄ Peso molecolare: 244.246 PubChem CID: 2760344

GRADE & PURITY ≥95%

Synonyms

RARECHEM AL BO 1082;3-PHENOXYMANDELIC ACID;Benzeneacetic acid, α-hydroxy-3-phenoxy-;2-Hydroxy-2-(3-phenoxyphenyl)acetic acid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

RARECHEM AL BO 1082;3-PHENOXYMANDELIC ACID;Benzeneacetic acid, α-hydroxy-3-phenoxy-;2-Hydroxy-2-(3-phenoxyphenyl)acetic acid

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: 504761572
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761572
• Sorrisi canonici: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C(=O)O)O
• IUPAC Name: 2-hydroxy-2-(3-phenoxyphenyl)acetic acid
• InChIKey: FPUCYPXKIFVDSD-UHFFFAOYSA-N
• INCHI: 1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)
• Isomeri SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C(=O)O)O
• PubChem CID: 2760344
• Peso molecolare: 244.246

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Alpha-hydroxy acid - Hydroxy acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

• Punto di fusione (°C): 131-133°
• Peso molecolare: 244.240 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 244.074 Da
• Monoisotopic Mass: 244.074 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 273.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 66637-86-3, the molecular formula is C14H12O4, and the molecular weight is 244.246 g/mol. InChIKey FPUCYPXKIFVDSD-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.