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835596-97-9 | 9H-Thioxanthen-9-one, 2,4-dihydroxy-
CAS No: 835596-97-9 Catalog No: AG004ZMJ MDL No:
Product Description
Catalog Number:
AG004ZMJ
Chemical Name:
9H-Thioxanthen-9-one, 2,4-dihydroxy-
CAS Number:
835596-97-9
Molecular Formula:
C13H8O3S
Molecular Weight:
244.2658
IUPAC Name:
2,4-dihydroxythioxanthen-9-one
InChI:
InChI=1S/C13H8O3S/c14-7-5-9-12(16)8-3-1-2-4-11(8)17-13(9)10(15)6-7/h1-6,14-15H
InChI Key:
UIQYTEPBXAMKEO-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)c(=O)c1c(s2)cccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.019g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.264g/mol
Monoisotopic Mass:
244.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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