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2-hydroxy-1,3,5-triformylbenzene

Catalog Number
ACM81502741-2
CAS Number
81502-74-1
Product Name
2-hydroxy-1,3,5-triformylbenzene
Category
Aldehyde COF Linkers-3d-Aldehyder COF Linkers
IUPAC Name
2-hydroxybenzene-1,3,5-tricarbaldehyde
Molecular Weight
178.14g/mol
Molecular Formula
C9H6O4
InChI
InChI=1S/C9H6O4/c10-3-6-1-7(4-11)9(13)8(2-6)5-12/h1-5,13H
InChI Key
HKAZHQGKWVMFHP-UHFFFAOYSA-N
Application
2-Hydroxy-1,3,5-triformylbenzene serves as a versatile compound due to its unique solubility characteristics and color-changing properties. While it exhibits limited solubility in most organic solvents and water, it dissolves effectively in DMSO and hot DMF, making these ideal for its recrystallization process. In its acidic form, the compound is colorless, but the transformation to its anionic form introduces a visible yellow hue, enabling applications where color change is indicative of specific chemical activities or conditions. This behavior, however, is less pronounced in water due to the limited solubility of its yellow sodium salt form.
Complexity
196
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
178.02660867g/mol
Formal Charge
0
Heavy Atom Count
13
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Length
<10 μm
Monoisotopic Mass
178.02660867g/mol
Rotatable Bond Count
3
SSA
>30
m2·g-1
Topological Polar Surface Area
71.4Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.5
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