6-Hydroxy-1-indanone - ≥98%(GC) , CAS No.62803-47-8

CAS: 62803-47-8 Cat. No.: H123324 Formule: C₉H₈O₂ Poids moléculaire: 148.16 Beilstein Registry Number: 8(4)894 Numéro CE: 613-084-4

GRADE & PURITY ≥98%(GC)

Synonyms

BDBM50591349 | A834001 | 6-hydroxyindanone | EN300-306116 | 6-Hydroxy-1-indanone, 97% | 1H-Inden-1-one, 2,3-dihydro-6-hydroxy- | FT-0649774 | 6-hydroxy-2,3-dihydroinden-1-one | 6-Hydroxy-1-indanone | BP-13219 | 6-hydroxy-1-Indenone | 6-Hydroxy-2,3-dihydro

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Application du produit

la 6-Hydroxy-1-indanone peut être utilisée dans la synthèse de cétones tétracycliques intermédiaires lors des synthèses totales de la (±)-frondosine C et de la (±)-8-epi-frondosine C. Elle peut également être utilisée dans la synthèse de 1,4-dihydroindéno[1,2-c]pyrazoles, qui peuvent agir comme de puissants inhibiteurs de CHK-1, inhibant ainsi la croissance des cellules cancéreuses.

Specifications

Synonymes

BDBM50591349 | A834001 | 6-hydroxyindanone | EN300-306116 | 6-Hydroxy-1-indanone, 97% | 1H-Inden-1-one, 2,3-dihydro-6-hydroxy- | FT-0649774 | 6-hydroxy-2,3-dihydroinden-1-one | 6-Hydroxy-1-indanone | BP-13219 | 6-hydroxy-1-Indenone | 6-Hydroxy-2,3-dihydro

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504764639

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764639

Sourires canoniques

C1CC(=O)C2=C1C=CC(=C2)O

IUPAC Name

6-hydroxy-2,3-dihydroinden-1-one

InChIKey

MOANRQDXNNXOLW-UHFFFAOYSA-N

INCHI

1S/C9H8O2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,10H,2,4H2

Isomères SMILES

C1CC(=O)C2=C1C=CC(=C2)O

WGK Allemagne

2

Poids moléculaire

148.16

Beilstein

8(4)894

Reaxy-Rn

1282496

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1282496&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 157°C
• Poids moléculaire: 148.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.052 Da
• Monoisotopic Mass: 148.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 176.000
• Isotope Atom Count: 0
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 62803-47-8, the molecular formula is C9H8O2, and the molecular weight is 148.16 g/mol. InChIKey MOANRQDXNNXOLW-UHFFFAOYSA-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.