3-Methoxy-4-hydroxyphenylglycol(HMPG) - Moligand™,≥95% , CAS No.534-82-7

CAS: 534-82-7 Cat. No.: M1369229 Peso molecular: 184.19 Número EC: 999-084-8

GRADE & PURITY Moligand™, ≥95%

Synonyms

1-(4-Hydroxy-3-methoxyphenyl)-1,2-ethanediol | (3-Methoxy-4-hydroxyphenyl)ethylene Glycol | (4-Hydroxy-3-methoxyphenyl)ethylene Glycol | MHPG | MOPEG

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

1-(4-Hydroxy-3-methoxyphenyl)-1, 2-ethanediol | (3-Methoxy-4-hydroxyphenyl)ethylene Glycol | (4-Hydroxy-3-methoxyphenyl)ethylene Glycol | MHPG | MOPEG

Especificaciones y pureza

Moligand™, ≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Grado

Moligand™

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=CC(=C1)C(CO)O)O
• IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol
• InChIKey: FBWPWWWZWKPJFL-UHFFFAOYSA-N
• INCHI: 1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3
• Isómeros SMILES: COC1=C(C=CC(=C1)C(CO)O)O
• Peso molecular: 184.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Secondary alcohol - 1,2-diol - Ether - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: a guaiacol

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

• Sensibilidad: Moisture sensitive
• Punto de ebullición (°C): 392.9±42.0 °C at 760 mmHg
• Punto de fusión (°C): 114-116 °C
• Peso molecular: 184.190 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 184.074 Da
• Monoisotopic Mass: 184.074 Da
• Topological Polar Surface Area: 69.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 151.000
• 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