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144092-73-9 | 9H-Thioxanthene-1,9-diol
CAS No: 144092-73-9 Catalog No: AG001IWC MDL No:
Product Description
Catalog Number:
AG001IWC
Chemical Name:
9H-Thioxanthene-1,9-diol
CAS Number:
144092-73-9
Molecular Formula:
C13H10O2S
Molecular Weight:
230.2823
IUPAC Name:
9H-thioxanthene-1,9-diol
InChI:
InChI=1S/C13H10O2S/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7,13-15H
InChI Key:
QRJOUKSHDFHOBN-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1C(O)c1c(S2)cccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.281g/mol
Monoisotopic Mass:
230.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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