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Home > Pyridines > 1261998-84-8
1261998-84-8 | 3-Pyridinol, 6-benzo[b]thien-2-yl-
CAS No: 1261998-84-8 Catalog No: AG000SB5 MDL No:MFCD18323585
Product Description
Catalog Number:
AG000SB5
Chemical Name:
3-Pyridinol, 6-benzo[b]thien-2-yl-
CAS Number:
1261998-84-8
Molecular Formula:
C13H9NOS
Molecular Weight:
227.2817
MDL Number:
MFCD18323585
IUPAC Name:
6-(1-benzothiophen-2-yl)pyridin-3-ol
InChI:
InChI=1S/C13H9NOS/c15-10-5-6-11(14-8-10)13-7-9-3-1-2-4-12(9)16-13/h1-8,15H
InChI Key:
RTRDZUIOYHWHQF-UHFFFAOYSA-N
SMILES:
Oc1ccc(nc1)c1cc2c(s1)cccc2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.281g/mol
Monoisotopic Mass:
227.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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