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Home > Pyridines > 215035-91-9
215035-91-9 | Methanesulfonic acid pyridin-2-ylmethyl ester
CAS No: 215035-91-9 Catalog No: AG01FAH6 MDL No:
Product Description
Catalog Number:
AG01FAH6
Chemical Name:
Methanesulfonic acid pyridin-2-ylmethyl ester
CAS Number:
215035-91-9
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
IUPAC Name:
pyridin-2-ylmethyl methanesulfonate
InChI:
InChI=1S/C7H9NO3S/c1-12(9,10)11-6-7-4-2-3-5-8-7/h2-5H,6H2,1H3
InChI Key:
NGPONWYYFOFPIC-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OCc1ccccn1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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