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Home > Indoles and Oxindole > 890045-63-3
890045-63-3 | 9H-Thioxanthen-9-one, 3-(1H-indol-5-yl)-, 10,10-dioxide
CAS No: 890045-63-3 Catalog No: AG0044WA MDL No:
Product Description
Catalog Number:
AG0044WA
Chemical Name:
9H-Thioxanthen-9-one, 3-(1H-indol-5-yl)-, 10,10-dioxide
CAS Number:
890045-63-3
Molecular Formula:
C21H13NO3S
Molecular Weight:
359.3978
IUPAC Name:
3-(1H-indol-5-yl)-10,10-dioxothioxanthen-9-one
InChI:
InChI=1S/C21H13NO3S/c23-21-16-3-1-2-4-19(16)26(24,25)20-12-14(5-7-17(20)21)13-6-8-18-15(11-13)9-10-22-18/h1-12,22H
InChI Key:
GFFMNKJAKFHDCT-UHFFFAOYSA-N
SMILES:
O=C1c2ccc(cc2S(=O)(=O)c2c1cccc2)c1ccc2c(c1)cc[nH]2
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.062g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.399g/mol
Monoisotopic Mass:
359.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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