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147437-99-8 | 1(3H)-Isobenzofuranone, 3-(2-thienyl)-
CAS No: 147437-99-8 Catalog No: AG001EWA MDL No:
Product Description
Catalog Number:
AG001EWA
Chemical Name:
1(3H)-Isobenzofuranone, 3-(2-thienyl)-
CAS Number:
147437-99-8
Molecular Formula:
C12H8O2S
Molecular Weight:
216.2557
IUPAC Name:
3-thiophen-2-yl-3H-2-benzofuran-1-one
InChI:
InChI=1S/C12H8O2S/c13-12-9-5-2-1-4-8(9)11(14-12)10-6-3-7-15-10/h1-7,11H
InChI Key:
JXGGVKILPREQLK-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)c1cccs1
Properties
Complexity:
266
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:
0
Isotope Atom Count:
0
Molecular Weight:
216.254g/mol
Monoisotopic Mass:
216.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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