MURRAYONE - analytical standard , CAS No.19668-69-0

CAS: 19668-69-0 Cat. No.: M302681 Summenformel: C₁₅H₁₄O₄ Molekulargewicht: 258.27

GRADE & PURITY Analytical standard

Synonyms

7-methoxy-8-(3-methyl-2-oxobut-3-enyl)-2H-chromen-2-one | DTXSID90415765 | murrayon | Murrayone | 7-methoxy-8-(3-methyl-2-oxobut-3-en-1-yl)-2H-chromen-2-one | MS-23638 | HY-N2558 | FT-0775509 | Prangone | AKOS037514747 | Q-100240 | 7-methoxy-8-(3-methyl-2

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

7-methoxy-8-(3-methyl-2-oxobut-3-enyl)-2H-chromen-2-one | DTXSID90415765 | murrayon | Murrayone | 7-methoxy-8-(3-methyl-2-oxobut-3-en-1-yl)-2H-chromen-2-one | MS-23638 | HY-N2558 | FT-0775509 | Prangone | AKOS037514747 | Q-100240 | 7-methoxy-8-(3-methyl-2

Spezifikationen & Reinheit

analytical standard

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Note

Analytischer Standard

Namen und Kennungen

• Kanonisches Lächeln: CC(=C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC
• IUPAC Name: 7-methoxy-8-(3-methyl-2-oxobut-3-enyl)chromen-2-one
• InChIKey: IISMOXLSZASLDD-UHFFFAOYSA-N
• INCHI: 1S/C15H14O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7H,1,8H2,2-3H3
• Isomere SMILES: CC(=C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC
• Molekulargewicht: 258.27
• Reaxy-Rn: 1290286
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1290286&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 Anisoles Pyranones and derivatives Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Enones Acryloyl compounds Lactones Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - 1-benzopyran - Benzopyran - Anisole - Alkyl aryl ether - Pyranone - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyran - Acryloyl-group - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Ketone - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 452.8±45.0℃(Predicted)
• Schmelzpunkt (°C): 130℃
• Molekulargewicht: 258.269 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 258.089 Da
• Monoisotopic Mass: 258.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 424.000
• 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

How should this product be stored?

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

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

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 19668-69-0, the molecular formula is C15H14O4, and the molecular weight is 258.27 g/mol. InChIKey IISMOXLSZASLDD-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.