4-Hydroxy-7-methoxycoumarin - ≥98% , CAS No.17575-15-4

CAS: 17575-15-4 Cat. No.: H156925 Formule: C₁₀H₈O₄ Poids moléculaire: 192.17 Numéro CE: 688-278-5

QUALITÉ & PURETÉ ≥98%

Synonyms

4-Hydroxy-7-methoxycoumarin | 4-Hydroxy-7-methoxy-coumarin | SCHEMBL3911979 | T71936 | 2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy- | BB 0259567 | AKOS005175104 | DTXSID40715868 | A1-00331 | 4-Hydroxy-7-methoxy-2H-1-benzopyran-2-one | 4-hydroxy-7-methoxych

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

4-Hydroxy-7-methoxycoumarin | 4-Hydroxy-7-methoxy-coumarin | SCHEMBL3911979 | T71936 | 2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy- | BB 0259567 | AKOS005175104 | DTXSID40715868 | A1-00331 | 4-Hydroxy-7-methoxy-2H-1-benzopyran-2-one | 4-hydroxy-7-methoxych

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504771375

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771375

Sourires canoniques

COC1=CC2=C(C=C1)C(=CC(=O)O2)O

IUPAC Name

4-hydroxy-7-methoxychromen-2-one

InChIKey

MJBHLQMPKBMZSF-UHFFFAOYSA-N

INCHI

1S/C10H8O4/c1-13-6-2-3-7-8(11)5-10(12)14-9(7)4-6/h2-5,11H,1H3

Isomères SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)O

Poids moléculaire

192.17

Reaxy-Rn

170546

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=170546&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: 4-hydroxycoumarins
• Alternative Parents: 1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-hydroxycoumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 260 °C
• Poids moléculaire: 192.170 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 192.042 Da
• Monoisotopic Mass: 192.042 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 271.000
• 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