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

CAS: 7249-26-5 Cat. No.: M404669 Formula: C₁₀H₈O₃ Peso molecolare: 176.17 Numero EC: 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

Panoramica

Maximum Absorption Wavelength:333(EtOH)nm

Specifications

Sinonimi

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-

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488195407
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195407
• Sorrisi canonici: 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
• Isomeri SMILES: CC1=CC(=CC2=C1C=CC(=O)O2)O
• Peso molecolare: 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
    • Classe Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Descrizione: 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

Obiettivi associati (non umani)

J774 (3120 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 248 °C
• Peso molecolare: 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

Domande frequenti

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.