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3-Cyano-7-hydroxycoumarin

CAT: 0931-T77674-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T77674-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19088-73-4
Target
Others, MIF
Related Pathways
Immunology/Inflammation, Others
Purity
0.982
Bioactivity
3-Cyano-7-hydroxycoumarin (3-Cyanoumbelliferone) is a macrophage inhibitor of macrophage inhibitory factor (MIF) interconjugate isomerase with a Ki of 2.9 μM. 3-Cyano-7-hydroxycoumarin belongs to the group of coumarin derivatives, which can be used as molecular probes and fluorescent dyes.
Smiles
Oc1ccc2cc(C#N)c(=O)oc2c1
Molecular Formula
C10H5NO3
Molecular Weight
187.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Cyano-7-hydroxycoumarin

structure given in first source

CAS Number19088-73-4
PubChem CID5393173
IUPAC Name7-hydroxy-2-oxochromene-3-carbonitrile
Molecular FormulaC10H5NO3
Molecular Weight187.15
XLogP1.5
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity339
SMILES
C1=CC2=C(C=C1O)OC(=O)C(=C2)C#N
InChI
InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H
InChIKey
IJQYTHQDUDCJEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Cyano-7-hydroxycoumarin
CAS: 19088-73-4
CID: 5393173
Formula: C10H5NO3
MW: 187.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight187.15
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass187.026943022
Monoisotopic Mass187.026943022
Topological Polar Surface Area70.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity339
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