4,5-Dimethoxy-1-indanone - ≥97% , CAS No.6342-80-9

CAS: 6342-80-9 Cat. No.: D123319 Formula: C₁₁H₁₂O₃ Peso molecolare: 192.21 Numero EC: 862-414-5

GRADE & PURITY ≥97%

Synonyms

4,5-dimethoxyindan-1-one | DTXSID00286605 | AM1116 | SMR000114165 | 4,5-Dimethoxy-2,3-dihydro-1H-inden-1-one | 4,5-dimethoxy-2,3-dihydroinden-1-one | AKOS010641422 | MLS000549093 | XQODIRIVQXQUFN-UHFFFAOYSA-N | FT-0655315 | NSC-46649 | SR-01000508186 | EN

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

4,5-dimethoxyindan-1-one | DTXSID00286605 | AM1116 | SMR000114165 | 4,5-Dimethoxy-2,3-dihydro-1H-inden-1-one | 4,5-dimethoxy-2,3-dihydroinden-1-one | AKOS010641422 | MLS000549093 | XQODIRIVQXQUFN-UHFFFAOYSA-N | FT-0655315 | NSC-46649 | SR-01000508186 | EN

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488188920
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188920
• Sorrisi canonici: COC1=C(C2=C(C=C1)C(=O)CC2)OC
• IUPAC Name: 4,5-dimethoxy-2,3-dihydroinden-1-one
• InChIKey: XQODIRIVQXQUFN-UHFFFAOYSA-N
• INCHI: 1S/C11H12O3/c1-13-10-6-4-7-8(11(10)14-2)3-5-9(7)12/h4,6H,3,5H2,1-2H3
• Isomeri SMILES: COC1=C(C2=C(C=C1)C(=O)CC2)OC
• WGK Germania: 3
• Peso molecolare: 192.21
• Reaxy-Rn: 1242242
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1242242&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

Obiettivi associati (umani)

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Discover Target: ALDH1A1

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Discover Target: KDM4E

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Discover Target: HPGD

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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Obiettivi associati (non umani)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 73-77°C
• Peso molecolare: 192.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.079 Da
• Monoisotopic Mass: 192.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 227.000
• 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 6342-80-9, the molecular formula is C11H12O3, and the molecular weight is 192.21 g/mol. InChIKey XQODIRIVQXQUFN-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.