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16551-54-5 | Pyridinium, 1-[[(2-hydroxyphenyl)methylene]amino]-, iodide (1:1)
CAS No: 16551-54-5 Catalog No: AG001W7A MDL No:
Product Description
Catalog Number:
AG001W7A
Chemical Name:
Pyridinium, 1-[[(2-hydroxyphenyl)methylene]amino]-, iodide (1:1)
CAS Number:
16551-54-5
Molecular Formula:
C12H11IN2O
Molecular Weight:
326.1330
IUPAC Name:
2-(pyridin-1-ium-1-yliminomethyl)phenol;iodide
InChI:
InChI=1S/C12H10N2O.HI/c15-12-7-3-2-6-11(12)10-13-14-8-4-1-5-9-14;/h1-10H;1H
InChI Key:
PNHIGDBLKRULBT-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C=N[n+]1ccccc1.[I-]
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.137g/mol
Monoisotopic Mass:
325.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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