4-Hydroxybenzaldehyde-d4 - ≥98%(CP),≥98 atom% D , CAS No.284474-52-8

CAS: 284474-52-8 Cat. No.: H757098 Peso molecular: 126.15 Número EC: 106-383-1

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

p-Hydroxybenzaldehyde-d4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

p-Hydroxybenzaldehyde-d4 is the deuterium labeled p-Hydroxybenzaldehyde. p-Hydroxybenzaldehyde is a one of the major components in Dendrocalamus asper bamboo shoots, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.

Specifications

Sinónimos

p-Hydroxybenzaldehyde-d4

Especificaciones y pureza

≥98%(CP), ≥98 atom% D

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Tipo de acción

ANTAGONIST

Pureza

≥98%(CP), ≥98 atom% D

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C=O)O
• IUPAC Name: 2,3,5,6-tetradeuterio-4-hydroxybenzaldehyde
• InChIKey: RGHHSNMVTDWUBI-RHQRLBAQSA-N
• INCHI: 1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H/i1D,2D,3D,4D
• Isómeros SMILES: [2H]C1=C(C(=C(C(=C1C=O)[2H])[2H])O)[2H]
• CAS alternativo: 284474-52-8;123-08-0(unlabelled)
• Peso molecular: 126.15
• Reaxy-Rn: 471352
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471352&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl 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

Propiedades químicas y físicas

• Peso molecular: 126.150 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.062 Da
• Monoisotopic Mass: 126.062 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 93.100
• Isotope Atom Count: 4
• 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