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89426-85-7 | Pyridinium, 3-(hydroxyphenylmethyl)-1-methyl-
CAS No: 89426-85-7 Catalog No: AG0043OO MDL No:
Product Description
Catalog Number:
AG0043OO
Chemical Name:
Pyridinium, 3-(hydroxyphenylmethyl)-1-methyl-
CAS Number:
89426-85-7
Molecular Formula:
C13H14NO+
Molecular Weight:
200.2564
IUPAC Name:
(1-methylpyridin-1-ium-3-yl)-phenylmethanol
InChI:
InChI=1S/C13H14NO/c1-14-9-5-8-12(10-14)13(15)11-6-3-2-4-7-11/h2-10,13,15H,1H3/q+1
InChI Key:
CSXDGXBPEQSWJK-UHFFFAOYSA-N
SMILES:
C[n+]1cccc(c1)C(c1ccccc1)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.108g/mol
Formal Charge:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.261g/mol
Monoisotopic Mass:
200.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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