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1193359-93-1 | 5-Benzofuranol, 2-(3-thienyl)-
CAS No: 1193359-93-1 Catalog No: AG000IM6 MDL No:
Product Description
Catalog Number:
AG000IM6
Chemical Name:
5-Benzofuranol, 2-(3-thienyl)-
CAS Number:
1193359-93-1
Molecular Formula:
C12H8O2S
Molecular Weight:
216.2557
IUPAC Name:
2-thiophen-3-yl-1-benzofuran-5-ol
InChI:
InChI=1S/C12H8O2S/c13-10-1-2-11-9(5-10)6-12(14-11)8-3-4-15-7-8/h1-7,13H
InChI Key:
SFTZWSQMPAFCAA-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)cc(o2)c1cscc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.254g/mol
Monoisotopic Mass:
216.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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