2-Methyldibenzofuran - ≥96% , CAS No.7320-51-6

CAS: 7320-51-6 Cat. No.: M694785 Formule: C₁₃H₁₀O Poids moléculaire: 182.22 Numéro CE: 230-789-9 PubChem CID: 81755

GRADE & PURITY ≥96%

Storage

Room temperature

Specifications

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Pureté

≥96%

Propriétés du produit

ALogP

4.5

Noms et identifiants

Sourires canoniques

CC1=CC2=C(C=C1)OC3=CC=CC=C32

IUPAC Name

2-methyldibenzofuran

InChIKey

VTKMFJSESAHMLR-UHFFFAOYSA-N

INCHI

1S/C13H10O/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8H,1H3

Isomères SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C32

PubChem CID

81755

Poids moléculaire

182.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzofurans
      • Subclass Dibenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzofurans
• Subclass: Dibenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzofurans
• Alternative Parents: Benzenoids Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzofuran - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 182.220 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 182.073 Da
• Monoisotopic Mass: 182.073 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 213.000
• 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