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Home > Indoles and Oxindole > 132898-98-7
132898-98-7 | 5-(3-Thienyl)-1H-indole-2,3-dione
CAS No: 132898-98-7 Catalog No: AG01FEDN MDL No:
Product Description
Catalog Number:
AG01FEDN
Chemical Name:
5-(3-Thienyl)-1H-indole-2,3-dione
CAS Number:
132898-98-7
Molecular Formula:
C12H7NO2S
Molecular Weight:
229.2545
IUPAC Name:
5-thiophen-3-yl-1H-indole-2,3-dione
InChI:
InChI=1S/C12H7NO2S/c14-11-9-5-7(8-3-4-16-6-8)1-2-10(9)13-12(11)15/h1-6H,(H,13,14,15)
InChI Key:
QEQIEHRZBOHGPA-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(cc2)c1cscc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.253g/mol
Monoisotopic Mass:
229.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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