4-Hydroxybenzaldehyde-α-¹³C - ≥99 atom% 13C , CAS No.152404-52-9

CAS: 152404-52-9 Cat. No.: H473841 Fórmula: HOC₆H₄¹³CHO Peso molecular: 123.11 Número CE: 689-486-9

GRADE & PURITY ≥99 atom% 13C

Synonyms

J-008918 | 4-HYDROXYBENZALDEHYDE-CARBONYL-13C | HY-Y0313S1 | 4-Hydroxybenzaldehyde-+/--13C | 4-Hydroxybenzaldehyde-13C | p-Hydroxybenzaldehyde-13C | DTXSID80583841 | 4-Hydroxy-Benzaldehyde-formyl-13C | 4-Hydroxybenzaldehyde-1-13C | 4-Hydroxy(formyl-~13~C)

Storage

Room temperature

Specifications

Sinónimos

J-008918 | 4-HYDROXYBENZALDEHYDE-CARBONYL-13C | HY-Y0313S1 | 4-Hydroxybenzaldehyde-+/--13C | 4-Hydroxybenzaldehyde-13C | p-Hydroxybenzaldehyde-13C | DTXSID80583841 | 4-Hydroxy-Benzaldehyde-formyl-13C | 4-Hydroxybenzaldehyde-1-13C | 4-Hydroxy(formyl-~13~C)

Especificações e pureza

≥99 atom% 13C

Condições de armazenamento de armazenamento

Room temperature

Tipo de ação

ANTAGONIST

Pureza

≥99 atom% 13C

Nomes e identificadores

• Sorrisos canónicos: C1=CC(=CC=C1C=O)O
• IUPAC Name: 4-hydroxybenzaldehyde
• InChIKey: RGHHSNMVTDWUBI-HOSYLAQJSA-N
• INCHI: 1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H/i5+1
• SMILES isoméricas: C1=CC(=CC=C1[13CH]=O)O
• WGK Alemanha: 3
• Peso molecular: 123.11
• 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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 123.110 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.04 Da
• Monoisotopic Mass: 123.04 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 93.100
• Isotope Atom Count: 1
• 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

Perguntas frequentes

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 152404-52-9, the molecular formula is HOC6H413CHO, and the molecular weight is 123.11 g/mol. InChIKey RGHHSNMVTDWUBI-HOSYLAQJSA-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.