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Coumarin Boronic Acid

CAT: 0931-T38324-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T38324-01Size:10 mg
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CAS Number
1357078-03-5
Target
Others
Related Pathways
Others
Bioactivity
Coumarin boronic acid (CBA) is a fluorescent probe that can be used to detect peroxynitrite , hypochlorous acid, and hydrogen peroxide.It reacts with peroxynitrite at an exponentially faster rate (k = 1.1 μM/s) than hydrogen peroxide (k =1.5 M/s) and moderately faster rate than hypochlorous acid. Peroxynitrite oxidizes CBA into the fluorescent product 7-hydroxycoumarin (COH), which displays excitation/emission maxima of 332/470 nm, respectively.
Smiles
O=C1OC=2C=C(C=CC2C=C1)B(O)O
Molecular Formula
C9H7BO4
Molecular Weight
189.96
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2-Oxochromen-7-YL)boronic acid
CAS Number1357078-03-5
PubChem CID73977909
IUPAC Name(2-oxochromen-7-yl)boronic acid
Molecular FormulaC9H7BO4
Molecular Weight189.96
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity264
SMILES
B(C1=CC2=C(C=C1)C=CC(=O)O2)(O)O
InChI
InChI=1S/C9H7BO4/c11-9-4-2-6-1-3-7(10(12)13)5-8(6)14-9/h1-5,12-13H
InChIKey
MUZVCJQIBNTECF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Oxochromen-7-YL)boronic acid
CAS: 1357078-03-5
CID: 73977909
Formula: C9H7BO4
MW: 189.96
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.96
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass190.0437389
Monoisotopic Mass190.0437389
Topological Polar Surface Area66.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity264
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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