4H-1-Benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-


Chemical Name: 4H-1-Benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
CAS Number: 480-23-9
Product Number: AG00D8OU(AGN-PC-0LPKGZ)
Synonyms:
MDL No:
Molecular Formula: C15H10O6
Molecular Weight: 286.2363

Identification/Properties


Computed Properties
Molecular Weight:
286.239g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
286.048g/mol
Monoisotopic Mass:
286.048g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
447
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Orobol, also known as (+)-orobol, is a natural product derived from certain plant sources. It has gained significant attention in the field of chemical synthesis due to its versatile applications. Orobol serves as a valuable building block in organic chemistry, particularly in the synthesis of complex molecules and pharmaceutical compounds. Its unique structure and reactivity make it a valuable tool for chemists seeking to create novel chemical compounds with specific properties. Orobol's diverse applications in chemical synthesis include serving as a chiral starting material for asymmetric synthesis, a precursor for the construction of heterocyclic frameworks, and a key intermediate in the preparation of bioactive molecules. Its incorporation into synthetic pathways enables the efficient production of target compounds with high selectivity and yield, making it a valuable asset in the toolbox of synthetic chemists.