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3313-51-7 | Pyridinium, 2-(hydroxymethyl)-1-methyl-, iodide
CAS No: 3313-51-7 Catalog No: AG007HAG MDL No:
Product Description
Catalog Number:
AG007HAG
Chemical Name:
Pyridinium, 2-(hydroxymethyl)-1-methyl-, iodide
CAS Number:
3313-51-7
Molecular Formula:
C7H10INO
Molecular Weight:
251.0649
IUPAC Name:
(1-methylpyridin-1-ium-2-yl)methanol;iodide
InChI:
InChI=1S/C7H10NO.HI/c1-8-5-3-2-4-7(8)6-9;/h2-5,9H,6H2,1H3;1H/q+1;/p-1
InChI Key:
RURDJUFVNLDFOM-UHFFFAOYSA-M
SMILES:
OCc1cccc[n+]1C.[I-]
Properties
Complexity:
85
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:
1
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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