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3-Hydroxy-6-methyl-2-nitropyridine

CAT: 0024-sc-226095Size: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-226095Size:10 g
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CAS Number
15128-90-2

Chemical Information

6-Methyl-2-nitropyridin-3-ol
CAS Number15128-90-2
PubChem CID84801
IUPAC Name6-methyl-2-nitropyridin-3-ol
Molecular FormulaC6H6N2O3
Molecular Weight154.12
XLogP1.6
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity156
SMILES
CC1=NC(=C(C=C1)O)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O3/c1-4-2-3-5(9)6(7-4)8(10)11/h2-3,9H,1H3
InChIKey
WZMGQHIBXUAYGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methyl-2-nitropyridin-3-ol
CAS: 15128-90-2
CID: 84801
Formula: C6H6N2O3
MW: 154.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight154.12
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass154.03784206
Monoisotopic Mass154.03784206
Topological Polar Surface Area78.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity156
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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