Stemofuran B , CAS No.439900-84-2

CAS: 439900-84-2 Cat. No.: S1276626 PubChem CID: 641364

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Specifications

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Verschickt in

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Namen und Kennungen

• Kanonisches Lächeln: COC1=CC(=CC(=C1)O)C2=CC3=C(C=CC=C3O2)O
• IUPAC Name: 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol
• InChIKey: LNYJPSJEXBTRPO-UHFFFAOYSA-N
• INCHI: 1S/C15H12O4/c1-18-11-6-9(5-10(16)7-11)15-8-12-13(17)3-2-4-14(12)19-15/h2-8,16-17H,1H3
• Isomere SMILES: COC1=CC(=CC(=C1)O)C2=CC3=C(C=CC=C3O2)O
• PubChem CID: 641364
• MeSH-Eintrag: 2-(5'-methoxy-3'-hydroxyphenyl)-4-hydroxybenzofuran;gnetifolin M

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse 2-arylbenzofuran flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 2-arylbenzofuran flavonoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-arylbenzofuran flavonoids
• Alternative Parents: 2-phenylbenzofurans Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Furans Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-arylbenzofuran flavonoid - 2-phenylbenzofuran - Phenylbenzofuran - Methoxyphenol - Benzofuran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 256.250 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 256.074 Da
• Monoisotopic Mass: 256.074 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 309.000
• 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

Häufig gestellte Fragen

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Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 439900-84-2. InChIKey LNYJPSJEXBTRPO-UHFFFAOYSA-N.

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