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Y 9000

CAT: 0013-GTR19198517-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198517-01Size:25 mg
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Description
Y 9000 is a small molecule compound exhibiting anti-allergic properties. It is suitable for in vitro and in vivo research applications in immunology and inflammation studies, where it can be used to investigate mechanisms of allergic response.
CAS Number
53944-40-4
Smiles
O=C1C=2C (OC=3C1=CC=CN3) =CC=C (C (C) =O) C2
Molecular Formula
C14H9NO3
Molecular Weight
239.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Y 9000

structure

CAS Number53944-40-4
PubChem CID198324
IUPAC Name7-acetylchromeno[2,3-b]pyridin-5-one
Molecular FormulaC14H9NO3
Molecular Weight239.23
XLogP1.9
Topological Polar Surface Area56.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity368
SMILES
CC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=CC=N3
InChI
InChI=1S/C14H9NO3/c1-8(16)9-4-5-12-11(7-9)13(17)10-3-2-6-15-14(10)18-12/h2-7H,1H3
InChIKey
ZYGDCOJTJFQANG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Y 9000
CAS: 53944-40-4
CID: 198324
Formula: C14H9NO3
MW: 239.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.23
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass239.058243149
Monoisotopic Mass239.058243149
Topological Polar Surface Area56.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity368
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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