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Home > Pyridines > 188882-84-0
188882-84-0 | Pyridinium, 3-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride (1:1)
CAS No: 188882-84-0 Catalog No: AG002HGB MDL No:
Product Description
Catalog Number:
AG002HGB
Chemical Name:
Pyridinium, 3-(2-hydroxyethyl)-1-(phenylmethyl)-, chloride (1:1)
CAS Number:
188882-84-0
Molecular Formula:
C14H16ClNO
Molecular Weight:
249.7359
IUPAC Name:
2-(1-benzylpyridin-1-ium-3-yl)ethanol;chloride
InChI:
InChI=1S/C14H16NO.ClH/c16-10-8-14-7-4-9-15(12-14)11-13-5-2-1-3-6-13;/h1-7,9,12,16H,8,10-11H2;1H/q+1;/p-1
InChI Key:
LACJDAFIWCEAHB-UHFFFAOYSA-M
SMILES:
OCCc1ccc[n+](c1)Cc1ccccc1.[Cl-]
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.092g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.738g/mol
Monoisotopic Mass:
249.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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