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Inotilone

CAT: 0607-C3726-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C3726-10Size:10 mg
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Description
cyclooxygenase (COX) inhibitor
CAS Number
906366-79-8
Product Name Alternative
(2Z)-2-[(3,4-dihydroxyphenyl)methylene]-5-methyl-3(2H)-furanone
Field of Research
Neuroscience COX
Purity
0.98
Form
A crystalline solid
Solubility
≤1mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
Smiles
OC1=CC=C(/C=C2OC(C)=CC\2=O)C=C1O
Molecular Formula
C12H10O4
Molecular Weight
218.2
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Inotilone

Inotilone is a member of catechols.

CAS Number906366-79-8
PubChem CID11644214
IUPAC Name(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-5-methylfuran-3-one
Molecular FormulaC12H10O4
Molecular Weight218.20
XLogP1.8
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity356
SMILES
CC1=CC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/O1
InChI
InChI=1S/C12H10O4/c1-7-4-11(15)12(16-7)6-8-2-3-9(13)10(14)5-8/h2-6,13-14H,1H3/b12-6-
InChIKey
NLZQGBCUKNUDED-SDQBBNPISA-N
Chemical Structure
2D Structure
2D structure of Inotilone
CAS: 906366-79-8
CID: 11644214
Formula: C12H10O4
MW: 218.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.20
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass218.05790880
Monoisotopic Mass218.05790880
Topological Polar Surface Area66.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
280439-01Inotilone

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