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Home > Pyridines > 1261913-21-6
1261913-21-6 | 4-Pyridinol, 2-benzo[b]thien-2-yl-
CAS No: 1261913-21-6 Catalog No: AG000S50 MDL No:MFCD18323584
Product Description
Catalog Number:
AG000S50
Chemical Name:
4-Pyridinol, 2-benzo[b]thien-2-yl-
CAS Number:
1261913-21-6
Molecular Formula:
C13H9NOS
Molecular Weight:
227.2817
MDL Number:
MFCD18323584
IUPAC Name:
2-(1-benzothiophen-2-yl)-1H-pyridin-4-one
InChI:
InChI=1S/C13H9NOS/c15-10-5-6-14-11(8-10)13-7-9-3-1-2-4-12(9)16-13/h1-8H,(H,14,15)
InChI Key:
CYXFVXUFPBMCHC-UHFFFAOYSA-N
SMILES:
Oc1ccnc(c1)c1cc2c(s1)cccc2
Properties
Complexity:
361
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:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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