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56622-15-2 | 2-(2-hydroxyethyl)-1-methyl-pyridinium iodide
CAS No: 56622-15-2 Catalog No: AG01B5EQ MDL No:MFCD18384426
Product Description
Catalog Number:
AG01B5EQ
Chemical Name:
2-(2-hydroxyethyl)-1-methyl-pyridinium iodide
CAS Number:
56622-15-2
Molecular Formula:
C8H12INO
Molecular Weight:
265.0915
MDL Number:
MFCD18384426
IUPAC Name:
2-(1-methylpyridin-1-ium-2-yl)ethanol;iodide
InChI:
InChI=1S/C8H12NO.HI/c1-9-6-3-2-4-8(9)5-7-10;/h2-4,6,10H,5,7H2,1H3;1H/q+1;/p-1
InChI Key:
YHPXPZWCXOSPJR-UHFFFAOYSA-M
SMILES:
OCCc1cccc[n+]1C.[I-]
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.996g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.094g/mol
Monoisotopic Mass:
264.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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