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2-(pyridin-2-yl)ethyl methanesulfonate

2-(pyridin-2-yl)ethyl methanesulfonate

CAS: 138428-37-2

Formula: C8H11NO3S

SMILES: CS(=O)(=O)OCCC1=CC=CC=N1

IUPAC: 2-(pyridin-2-yl)ethyl methanesulfonate

InChI: InChI=1S/C8H11NO3S/c1-13(10,11)12-7-5-8-4-2-3-6-9-8/h2-4,6H,5,7H2,1H3

Composition: C (47.75%), H (5.51%), N (6.96%), O (23.85%), S (15.93%)

Molar Mass: 201.24

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 201.045964392
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey CKGSHCWOMRPYTH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.65
Topological Polar Surface Area 56.26
Polarizability 19.86
Ring Count 1
Rotatable Bond Count 4

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