8-Methoxy-4-methylbenzo[g]coumarin - ≥98% , CAS No.69169-71-7

CAS: 69169-71-7 Cat. No.: M158658 Peso molecular: 240.26 Beilstein Registry Number: 18(5)2,172

GRADE & PURITY ≥98%

Synonyms

DTXSID60498722 | M1862 | 8-Methoxy-4-methyl-2H-naphtho[2,3-b]pyran-2-one | 8-Methoxy-4-methylbenzo[g]coumarin | 8-methoxy-4-methyl-2h-benzo[g]chromen-2-one | AKOS015889590 | D91544 | MFCD00445784 | 8-methoxy-4-methylbenzo[g]chromen-2-one

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID60498722 | M1862 | 8-Methoxy-4-methyl-2H-naphtho[2, 3-b]pyran-2-one | 8-Methoxy-4-methylbenzo[g]coumarin | 8-methoxy-4-methyl-2h-benzo[g]chromen-2-one | AKOS015889590 | D91544 | MFCD00445784 | 8-methoxy-4-methylbenzo[g]chromen-2-one

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=O)OC2=C1C=C3C=CC(=CC3=C2)OC
• IUPAC Name: 8-methoxy-4-methylbenzo[g]chromen-2-one
• InChIKey: GWFUYESISQUIHB-UHFFFAOYSA-N
• INCHI: 1S/C15H12O3/c1-9-5-15(16)18-14-8-11-6-12(17-2)4-3-10(11)7-13(9)14/h3-8H,1-2H3
• Isómeros SMILES: CC1=CC(=O)OC2=C1C=C3C=CC(=CC3=C2)OC
• Peso molecular: 240.26
• Beilstein: 18(5)2,172
• Reaxy-Rn: 1248441
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1248441&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Naphthopyrans
      • Subclass Naphthopyranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Naphthopyrans
• Subclass: Naphthopyranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthopyranones
• Alternative Parents: Coumarins and derivatives Naphthalenes 1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthopyranone - Coumarin - Benzopyran - 1-benzopyran - Naphthalene - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthopyranones. These are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 221 °C
• Peso molecular: 240.250 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 240.079 Da
• Monoisotopic Mass: 240.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 374.000
• 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