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46121-55-5 | N-(beta-acetoxyethyl)pyridinium
CAS No: 46121-55-5 Catalog No: AG00E3AN MDL No:
Product Description
Catalog Number:
AG00E3AN
Chemical Name:
N-(beta-acetoxyethyl)pyridinium
CAS Number:
46121-55-5
IUPAC Name:
2-pyridin-1-ium-1-ylethyl acetate
InChI:
InChI=1S/C9H12NO2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3/q+1
InChI Key:
LAWNEQSYVWOOLN-UHFFFAOYSA-N
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.087g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.2g/mol
Monoisotopic Mass:
166.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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