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144120-88-7 | 12H-Benzo[b]thioxanthen-12-one, 6-methoxy-11-phenoxy-, 5-oxide
CAS No: 144120-88-7 Catalog No: AG001IZH MDL No:
Product Description
Catalog Number:
AG001IZH
Chemical Name:
12H-Benzo[b]thioxanthen-12-one, 6-methoxy-11-phenoxy-, 5-oxide
CAS Number:
144120-88-7
Molecular Formula:
C24H16O4S
Molecular Weight:
400.4464
IUPAC Name:
6-methoxy-5-oxo-11-phenoxybenzo[b]thioxanthen-12-one
InChI:
InChI=1S/C24H16O4S/c1-27-23-17-12-6-5-11-16(17)22(28-15-9-3-2-4-10-15)20-21(25)18-13-7-8-14-19(18)29(26)24(20)23/h2-14H,1H3
InChI Key:
GKOZCGTWEBEDHF-UHFFFAOYSA-N
SMILES:
COc1c2ccccc2c(c2c1s(=O)c1c(c2=O)cccc1)Oc1ccccc1
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.077g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.448g/mol
Monoisotopic Mass:
400.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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