5-Methylumbelliferone - ≥95% , CAS No.7249-26-5

CAS: 7249-26-5 Cat. No.: M404669 Summenformel: C₁₀H₈O₃ Molekulargewicht: 176.17 EG-Nummer: 835-411-1

GRADE & PURITY ≥95%

Synonyms

DTXSID80418003 | 5-methylumbelliferone | M2948 | MFCD00488356 | 7-hydroxy-5-methylcoumarin | 7-hydroxy-5-methyl-coumarin | QNDMQTVAGWUUDS-UHFFFAOYSA-N | SCHEMBL6703952 | 2H-1-Benzopyran-2-one, 7-hydroxy-5-methyl- | 5-methyl-7-hydroxycoumarin | T72881 | 7-

Storage

Room temperature

Übersicht

Maximum Absorption Wavelength:333(EtOH)nm

Specifications

Synonyme

DTXSID80418003 | 5-methylumbelliferone | M2948 | MFCD00488356 | 7-hydroxy-5-methylcoumarin | 7-hydroxy-5-methyl-coumarin | QNDMQTVAGWUUDS-UHFFFAOYSA-N | SCHEMBL6703952 | 2H-1-Benzopyran-2-one, 7-hydroxy-5-methyl- | 5-methyl-7-hydroxycoumarin | T72881 | 7-

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488195407

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195407

Kanonisches Lächeln

CC1=CC(=CC2=C1C=CC(=O)O2)O

IUPAC Name

7-hydroxy-5-methylchromen-2-one

InChIKey

QNDMQTVAGWUUDS-UHFFFAOYSA-N

INCHI

1S/C10H8O3/c1-6-4-7(11)5-9-8(6)2-3-10(12)13-9/h2-5,11H,1H3

Isomere SMILES

CC1=CC(=CC2=C1C=CC(=O)O2)O

Molekulargewicht

176.17

Reaxy-Rn

146278

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=146278&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-hydroxycoumarins
• Alternative Parents: 1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
• 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 (nicht menschlich)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 248 °C
• Molekulargewicht: 176.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 176.047 Da
• Monoisotopic Mass: 176.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 247.000
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 7249-26-5, the molecular formula is C10H8O3, and the molecular weight is 176.17 g/mol. InChIKey QNDMQTVAGWUUDS-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.