2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-


Chemical Name: 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-
CAS Number: 13392-26-2
Product Number: AG01FSQE(AGN-PC-072XR7)
Synonyms:
MDL No:
Molecular Formula: C15H14O6
Molecular Weight: 290.26806

Identification/Properties


Computed Properties
Molecular Weight:
290.271g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
290.079g/mol
Monoisotopic Mass:
290.079g/mol
Topological Polar Surface Area:
110A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
364
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



The compound $name$, also known as 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, finds application in chemical synthesis as a versatile building block for the creation of novel pharmaceuticals, natural product analogs, and bioactive compounds. Its unique molecular structure featuring multiple hydroxyl groups makes it a valuable intermediate in the synthesis of polyphenolic and flavonoid derivatives, which exhibit various biological activities such as antioxidant, anti-inflammatory, and anticancer properties. In addition, $name$ can serve as a precursor for the production of specialized dyes, polymers, and functional materials through selective chemical modifications and functionalization reactions. Its strategic incorporation into synthetic pathways allows for the introduction of specific functional groups and stereochemical features, enabling the tailored design and synthesis of diverse chemical entities with enhanced bioactivity and therapeutic potential.