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59344-35-3 | 5-Hydroxy-1,2-dimethylpyridin-1-ium iodide
CAS No: 59344-35-3 Catalog No: AG01EWKS MDL No:
Product Description
Catalog Number:
AG01EWKS
Chemical Name:
5-Hydroxy-1,2-dimethylpyridin-1-ium iodide
CAS Number:
59344-35-3
Molecular Formula:
C7H10INO
Molecular Weight:
251.0649
IUPAC Name:
1,6-dimethylpyridin-1-ium-3-ol;iodide
InChI:
InChI=1S/C7H9NO.HI/c1-6-3-4-7(9)5-8(6)2;/h3-5H,1-2H3;1H
InChI Key:
UHHBCPROXIMJMD-UHFFFAOYSA-N
SMILES:
Oc1ccc([n+](c1)C)C.[I-]
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.067g/mol
Monoisotopic Mass:
250.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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