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ZC0101

CAT: 0013-GTR19187852-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187852-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ZC0101
CAS Number
2541604-52-6
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Signal Transduction
Smiles
C (=C/C (=O) N1C (=O) C=CCC1) \C2=C (C=CC=C2) C3=CN=CN3
Molecular Formula
C17H15N3O2
Molecular Weight
293.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 163408937
CAS Number2541604-52-6
PubChem CID163408937
IUPAC Name1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one
Molecular FormulaC17H15N3O2
Molecular Weight293.32
XLogP2
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity486
SMILES
C1CN(C(=O)C=C1)C(=O)/C=C/C2=CC=CC=C2C3=CN=CN3
InChI
InChI=1S/C17H15N3O2/c21-16-7-3-4-10-20(16)17(22)9-8-13-5-1-2-6-14(13)15-11-18-12-19-15/h1-3,5-9,11-12H,4,10H2,(H,18,19)/b9-8+
InChIKey
JJOMQKGDGWAVKI-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of CID 163408937
CAS: 2541604-52-6
CID: 163408937
Formula: C17H15N3O2
MW: 293.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.32
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass293.116426730
Monoisotopic Mass293.116426730
Topological Polar Surface Area66.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity486
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

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