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3-Nitrocoumarin

CAT: 0013-GTR19206640-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206640-07Size:100 mg
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Description
3-Nitrocoumarin (3-NC) is a selective inhibitor of Phospholipase C-γ (PLCγ) . This small molecule is a valuable research tool for studying PLCγ-mediated signaling pathways in cellular and biochemical assays, with applications in immunology and cancer research.
CAS Number
28448-04-6
Product Name Alternative
3-nitrochromen-2-one, 3-Nitrocoumarin, PLCγ
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
97.28% (May vary between batches)
Solubility
DMSO:90 mg/mL (470.86 mM) ;10% DMSO+90% Corn Oil:3.3 mg/mL (17.26 mM)
Smiles
[O-][N+] (=O) c1cc2ccccc2oc1=O
Molecular Formula
C9H5NO4
Molecular Weight
191.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Nitrocoumarin
CAS Number28448-04-6
PubChem CID2799766
IUPAC Name3-nitrochromen-2-one
Molecular FormulaC9H5NO4
Molecular Weight191.14
XLogP1.9
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity304
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)[N+](=O)[O-]
InChI
InChI=1S/C9H5NO4/c11-9-7(10(12)13)5-6-3-1-2-4-8(6)14-9/h1-5H
InChIKey
YTCVPEZECJYZRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitrocoumarin
CAS: 28448-04-6
CID: 2799766
Formula: C9H5NO4
MW: 191.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.14
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass191.02185764
Monoisotopic Mass191.02185764
Topological Polar Surface Area72.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity304
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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