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835596-95-7 | 9H-Thioxanthen-9-one, 1,2,3-trihydroxy-
CAS No: 835596-95-7 Catalog No: AG004UP9 MDL No:
Product Description
Catalog Number:
AG004UP9
Chemical Name:
9H-Thioxanthen-9-one, 1,2,3-trihydroxy-
CAS Number:
835596-95-7
Molecular Formula:
C13H8O4S
Molecular Weight:
260.2652
IUPAC Name:
1,2,3-trihydroxythioxanthen-9-one
InChI:
InChI=1S/C13H8O4S/c14-7-5-9-10(13(17)12(7)16)11(15)6-3-1-2-4-8(6)18-9/h1-5,14,16-17H
InChI Key:
WOOJXDZBJBUFIH-UHFFFAOYSA-N
SMILES:
Oc1cc2sc3ccccc3c(=O)c2c(c1O)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.014g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.263g/mol
Monoisotopic Mass:
260.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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