7-Methoxy-1-indanone - ≥97% , CAS No.34985-41-6

CAS: 34985-41-6 Cat. No.: M123325 Formula: C₁₀H₁₀O₂ Peso molecolare: 162.19 Numero EC: 625-835-3

GRADE & PURITY ≥97%

Synonyms

2,3-Dihydro-7-methoxy-1H-inden-1-one | 7-Methoxyindan-2-one | NSC 148876

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2,3-Dihydro-7-methoxy-1H-inden-1-one | 7-Methoxyindan-2-one | NSC 148876

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504758322

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758322

Sorrisi canonici

COC1=CC=CC2=C1C(=O)CC2

IUPAC Name

7-methoxy-2,3-dihydroinden-1-one

InChIKey

CZXBVBATQPHSSL-UHFFFAOYSA-N

INCHI

1S/C10H10O2/c1-12-9-4-2-3-7-5-6-8(11)10(7)9/h2-4H,5-6H2,1H3

Isomeri SMILES

COC1=CC=CC2=C1C(=O)CC2

WGK Germania

3

Peso molecolare

162.19

Reaxy-Rn

1239542

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1239542&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 Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - Anisole - Alkyl aryl ether - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 110 °C/0.1 mmHg
• Punto di fusione (°C): 99-102°C
• Peso molecolare: 162.180 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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 34985-41-6, the molecular formula is C10H10O2, and the molecular weight is 162.19 g/mol. InChIKey CZXBVBATQPHSSL-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.