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20166-39-6 | 4-Pyridinemethanol, 3-hydroxy-2-methyl-5-[(methylsulfinyl)methyl]-
CAS No: 20166-39-6 Catalog No: AG002DK2 MDL No:
Product Description
Catalog Number:
AG002DK2
Chemical Name:
4-Pyridinemethanol, 3-hydroxy-2-methyl-5-[(methylsulfinyl)methyl]-
CAS Number:
20166-39-6
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
IUPAC Name:
4-(hydroxymethyl)-2-methyl-5-(methylsulfinylmethyl)pyridin-3-ol
InChI:
InChI=1S/C9H13NO3S/c1-6-9(12)8(4-11)7(3-10-6)5-14(2)13/h3,11-12H,4-5H2,1-2H3
InChI Key:
QAUCAMWJGUVXOE-UHFFFAOYSA-N
SMILES:
OCc1c(cnc(c1O)C)CS(=O)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.267g/mol
Monoisotopic Mass:
215.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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