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7500-05-2 | 3-HydroxypyridiniuM Methiodide
CAS No: 7500-05-2 Catalog No: AG00G57Y MDL No:MFCD00971955
Product Description
Catalog Number:
AG00G57Y
Chemical Name:
3-HydroxypyridiniuM Methiodide
CAS Number:
7500-05-2
Molecular Formula:
C6H8INO
Molecular Weight:
237.0383
MDL Number:
MFCD00971955
IUPAC Name:
1-methylpyridin-1-ium-3-ol;iodide
InChI:
InChI=1S/C6H7NO.HI/c1-7-4-2-3-6(8)5-7;/h2-5H,1H3;1H
InChI Key:
PTNGQQDWNQHRAZ-UHFFFAOYSA-N
SMILES:
C[n+]1cccc(c1)O.[I-]
Properties
Complexity:
74.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.965g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.04g/mol
Monoisotopic Mass:
236.965g/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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