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Home > Pyridines > 872714-71-1
872714-71-1 | [1,3]Oxathiolo[5,4-c]pyridin-6-ylmethanol
CAS No: 872714-71-1 Catalog No: AG004LT9 MDL No:
Product Description
Catalog Number:
AG004LT9
Chemical Name:
[1,3]Oxathiolo[5,4-c]pyridin-6-ylmethanol
CAS Number:
872714-71-1
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
IUPAC Name:
[1,3]oxathiolo[5,4-c]pyridin-6-ylmethanol
InChI:
InChI=1S/C7H7NO2S/c9-3-5-1-7-6(2-8-5)10-4-11-7/h1-2,9H,3-4H2
InChI Key:
QJTBGQTVACLGDB-UHFFFAOYSA-N
SMILES:
OCc1ncc2c(c1)SCO2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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