(R)-(+)-4-Methoxymandelonitrile - ≥98% , CAS No.97070-73-0

CAS: 97070-73-0 Cat. No.: R472683 Peso molecular: 163.17 Número EC: 625-912-1 PubChem CID: 11805082

GRADE & PURITY ≥98%

Synonyms

(R)-(+)-4-Methoxymandelonitrile | (r)-4-methoxymandelonitrile | SCHEMBL9185138 | AKOS024386623 | (R)-2-Hydroxy-2-(4-methoxyphenyl)acetonitrile | DTXSID00473038 | (R)-(+)-4-Methoxymandelonitrile, 98% | (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Description

Useful intermediate in the preparation of optically active α-hydroxy carboxylic acids, α-hydroxy aldehydes, α-hydroxy ketones, and 2-amino alcohols.

Specifications

Sinónimos

(R)-(+)-4-Methoxymandelonitrile | (r)-4-methoxymandelonitrile | SCHEMBL9185138 | AKOS024386623 | (R)-2-Hydroxy-2-(4-methoxyphenyl)acetonitrile | DTXSID00473038 | (R)-(+)-4-Methoxymandelonitrile, 98% | (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)C(C#N)O
• IUPAC Name: (2R)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile
• InChIKey: WLDAAMXETLHTER-VIFPVBQESA-N
• INCHI: 1S/C9H9NO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,1H3/t9-/m0/s1
• Isómeros SMILES: COC1=CC=C(C=C1)[C@H](C#N)O
• WGK Alemania: 3
• PubChem CID: 11805082
• Peso molecular: 163.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Secondary alcohols Cyanohydrins Alpha-hydroxynitriles Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Cyanohydrin - Secondary alcohol - Alpha-hydroxynitrile - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Cyanide - Aromatic alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Propiedades químicas y físicas

• Peso molecular: 163.170 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.063 Da
• Monoisotopic Mass: 163.063 Da
• Topological Polar Surface Area: 53.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 176.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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