Eriobofuran - ≥96% , CAS No.97218-06-9

CAS: 97218-06-9 Cat. No.: E1029766 PubChem CID: 178939

GRADE & PURITY ≥96%

Storage

Room temperature

Specifications

仕様と純度

≥96%

保管条件

Room temperature

アクションタイプ

INHIBITOR

純度

≥96%

名前と識別子

• カノニカル・スマイル: COC1=C(C(=C2C(=C1)C3=CC=CC=C3O2)OC)O
• IUPAC Name: 2,4-dimethoxydibenzofuran-3-ol
• InChIKey: IPAVEOUAXMIIKX-UHFFFAOYSA-N
• INCHI: 1S/C14H12O4/c1-16-11-7-9-8-5-3-4-6-10(8)18-13(9)14(17-2)12(11)15/h3-7,15H,1-2H3
• 異性体SMILES: COC1=C(C(=C2C(=C1)C3=CC=CC=C3O2)OC)O
• 代替CAS番号: 97218-06-9
• PubChem CID: 178939

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzofurans
• Subclass: Dibenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzofurans
• Alternative Parents: Anisoles Alkyl aryl ethers Heteroaromatic compounds Furans Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzofuran - Anisole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: 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: dibenzofurans

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

化学的性質と物理的性質

• 分子量: 244.240 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 244.074 Da
• Monoisotopic Mass: 244.074 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 296.000
• 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