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Home > Pyridines > 138428-37-2
138428-37-2 | 2-Pyridineethanol, 2-methanesulfonate
CAS No: 138428-37-2 Catalog No: AG00195F MDL No:MFCD03840782
Product Description
Catalog Number:
AG00195F
Chemical Name:
2-Pyridineethanol, 2-methanesulfonate
CAS Number:
138428-37-2
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
MDL Number:
MFCD03840782
IUPAC Name:
2-pyridin-2-ylethyl 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
InChI Key:
CKGSHCWOMRPYTH-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OCCc1ccccn1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.24g/mol
Monoisotopic Mass:
201.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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