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JMJD6-IN-1

CAT: 0607-BA4795-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4795-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
899548-78-8
Form
A solid
Molecular Formula
C16H11N3O2
Molecular Weight
277.28
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

3-(3H-Imidazo[4,5-c]pyridin-2-yl)-6-methyl-2H-chromen-2-one
CAS Number899548-78-8
PubChem CID22424483
IUPAC Name3-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methylchromen-2-one
Molecular FormulaC16H11N3O2
Molecular Weight277.28
XLogP2.4
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity464
SMILES
CC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=C(N3)C=NC=C4
InChI
InChI=1S/C16H11N3O2/c1-9-2-3-14-10(6-9)7-11(16(20)21-14)15-18-12-4-5-17-8-13(12)19-15/h2-8H,1H3,(H,18,19)
InChIKey
AFTXOIIKGOXDOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3H-Imidazo[4,5-c]pyridin-2-yl)-6-methyl-2H-chromen-2-one
CAS: 899548-78-8
CID: 22424483
Formula: C16H11N3O2
MW: 277.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight277.28
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass277.085126602
Monoisotopic Mass277.085126602
Topological Polar Surface Area67.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity464
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