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890045-41-7 | 9H-Thioxanthen-9-one, 3-phenyl-, 10,10-dioxide
CAS No: 890045-41-7 Catalog No: AG00450H MDL No:
Product Description
Catalog Number:
AG00450H
Chemical Name:
9H-Thioxanthen-9-one, 3-phenyl-, 10,10-dioxide
CAS Number:
890045-41-7
Molecular Formula:
C19H12O3S
Molecular Weight:
320.3618
IUPAC Name:
10,10-dioxo-3-phenylthioxanthen-9-one
InChI:
InChI=1S/C19H12O3S/c20-19-15-8-4-5-9-17(15)23(21,22)18-12-14(10-11-16(18)19)13-6-2-1-3-7-13/h1-12H
InChI Key:
OJZPCTVVGIHAOU-UHFFFAOYSA-N
SMILES:
O=C1c2ccc(cc2S(=O)(=O)c2c1cccc2)c1ccccc1
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.051g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.362g/mol
Monoisotopic Mass:
320.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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