4-Methylcoumarin - ≥97% , CAS No.607-71-6

CAS: 607-71-6 Cat. No.: M404694 Summenformel: C₁₀H₈O₂ Molekulargewicht: 160.17 EG-Nummer: 210-141-1

GRADE & PURITY ≥97%

Synonyms

A832878 | PD004533 | BCP28723 | 4-Methyl-2H-chromen-2-one # | 4-METHYLUMBELLIFERYL | 4-Methylcumarin | COUMARIN, 4-METHYL- | FT-0602250 | AKOS000277307 | 4-Methyl-2H-chromen-2-one | NSC 20100 | 4-methyl-1-benzopyran-2-one | 4-Methyl-chromen-2-one | 4-meth

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Maximum Absorption Wavelength:270(EtOH)nm

Specifications

Synonyme

A832878 | PD004533 | BCP28723 | 4-Methyl-2H-chromen-2-one # | 4-METHYLUMBELLIFERYL | 4-Methylcumarin | COUMARIN, 4-METHYL- | FT-0602250 | AKOS000277307 | 4-Methyl-2H-chromen-2-one | NSC 20100 | 4-methyl-1-benzopyran-2-one | 4-Methyl-chromen-2-one | 4-meth

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504752205
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752205
• Kanonisches Lächeln: CC1=CC(=O)OC2=CC=CC=C12
• IUPAC Name: 4-methylchromen-2-one
• InChIKey: PSGQCCSGKGJLRL-UHFFFAOYSA-N
• INCHI: 1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
• Isomere SMILES: CC1=CC(=O)OC2=CC=CC=C12
• Molekulargewicht: 160.17
• Reaxy-Rn: 121648
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121648&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - 1-benzopyran - Benzopyran - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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

Zugehörige Ziele (menschlich)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 180 °C/15 mmHg
• Schmelzpunkt (°C): 79.0 - 83.0 °C
• Molekulargewicht: 160.170 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.052 Da
• Monoisotopic Mass: 160.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 230.000
• 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

Häufig gestellte Fragen

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 607-71-6, the molecular formula is C10H8O2, and the molecular weight is 160.17 g/mol. InChIKey PSGQCCSGKGJLRL-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.