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3-Methoxy-2-methyl-6-nitropyridine

CAT: 0127-OR345305Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR345305Size:1 g
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CAS Number
23904-02-1
MDL Number
MFCD09839293
Purity
=95%
Smiles
COc1ccc(nc1C)[N+](=O)[O-]

Chemical Information

3-Methoxy-2-methyl-6-nitropyridine
CAS Number23904-02-1
PubChem CID22923908
IUPAC Name3-methoxy-2-methyl-6-nitropyridine
Molecular FormulaC7H8N2O3
Molecular Weight168.15
XLogP1.4
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity169
SMILES
CC1=C(C=CC(=N1)[N+](=O)[O-])OC
InChI
InChI=1S/C7H8N2O3/c1-5-6(12-2)3-4-7(8-5)9(10)11/h3-4H,1-2H3
InChIKey
UOKVFMZISSJYNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy-2-methyl-6-nitropyridine
CAS: 23904-02-1
CID: 22923908
Formula: C7H8N2O3
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass168.05349212
Monoisotopic Mass168.05349212
Topological Polar Surface Area67.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity169
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