4-Hydroxy-1-indanone - ≥98%(GC) , CAS No.40731-98-4

CAS: 40731-98-4 Cat. No.: H123323 Fórmula: C₉H₈O₂ Peso molecular: 148.16 Número EC: 624-176-9

GRADE & PURITY ≥98%(GC)

Synonyms

3-(3-Keto-7.alpha.-acetylthio-17.beta.-hydroxy-4-androsten-17.alpha.-yl)propionic acid lactone | 4-hydroxyindan-1-one;4-Hydroxy-1-indanone | 4-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-ONE | SY020876 | (17-alpha)-17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one | J-51759

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-(3-Keto-7.alpha.-acetylthio-17.beta.-hydroxy-4-androsten-17.alpha.-yl)propionic acid lactone | 4-hydroxyindan-1-one;4-Hydroxy-1-indanone | 4-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-ONE | SY020876 | (17-alpha)-17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one | J-51759

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488190515
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190515
• Sonrisas canónicas: C1CC(=O)C2=C1C(=CC=C2)O
• IUPAC Name: 4-hydroxy-2,3-dihydroinden-1-one
• InChIKey: CKSCMRNFDBWFND-UHFFFAOYSA-N
• INCHI: 1S/C9H8O2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,10H,4-5H2
• Isómeros SMILES: C1CC(=O)C2=C1C(=CC=C2)O
• WGK Alemania: 3
• Peso molecular: 148.16
• Reaxy-Rn: 1282215
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1282215&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 242-244°C
• Peso molecular: 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

Preguntas frecuentes

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 40731-98-4, the molecular formula is C9H8O2, and the molecular weight is 148.16 g/mol. InChIKey CKSCMRNFDBWFND-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.