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

CAS: 152404-52-9 Cat. No.: H473841 Formula: HOC₆H₄¹³CHO Peso molecolare: 123.11 Numero EC: 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

Sinonimi

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)

Specifiche e purezza

≥99 atom% 13C

Condizioni di conservazione di stoccaggio

Room temperature

Tipo di azione

ANTAGONIST

Purezza

≥99 atom% 13C

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC(=CC=C1[13CH]=O)O
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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

Domande frequenti

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.