Resorcinol-¹³C₆ - ≥98 atom% D,≥95% , CAS No.953390-31-3

CAS: 953390-31-3 Cat. No.: R345448 Fórmula: ¹³C₆H₆O₂ Peso molecular: 116.07 PubChem CID: 11994988

GRADE & PURITY ≥98 atom% D,≥95%

Synonyms

Resorcinol-13C6 | DTXSID50475481 | AKOS030243263 | (1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-diol | m-Dihydroxybenzene-¹³C₆ | m-Benzenediol-¹³C₆ | m-Phenylenediol-¹³C₆ | m-Hydroxyphenol-¹³C₆ | m-Hydroquinone-¹³C₆ | 3-Hydroxyphenol-¹³C₆ | 1,3-Dihydroxyb

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Resorcinol-13C6 | DTXSID50475481 | AKOS030243263 | (1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-diol | m-Dihydroxybenzene-¹³C₆ | m-Benzenediol-¹³C₆ | m-Phenylenediol-¹³C₆ | m-Hydroxyphenol-¹³C₆ | m-Hydroquinone-¹³C₆ | 3-Hydroxyphenol-¹³C₆ | 1,3-Dihydroxyb

Especificações e pureza

≥98 atom% D,≥95%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98 atom% D,≥95%

Nomes e identificadores

• Pubchem Sid: 528776270
• Sorrisos canónicos: C1=CC(=CC(=C1)O)O
• IUPAC Name: (1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-diol
• InChIKey: GHMLBKRAJCXXBS-IDEBNGHGSA-N
• INCHI: 1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H/i1+1,2+1,3+1,4+1,5+1,6+1
• SMILES isoméricas: [13CH]1=[13CH][13C](=[13CH][13C](=[13CH]1)O)O
• PubChem CID: 11994988
• Peso molecular: 116.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Resorcinols
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Chloroform, Dichloromethane, Ethyl Ether and Methanol
• Peso molecular: 116.067 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.057 Da
• Monoisotopic Mass: 116.057 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 64.900
• Isotope Atom Count: 6
• 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