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Home > Other Heterocycles > 94109-78-1
94109-78-1 | 3',6'-DIHYDROXYSPIRO[ISOBENZOFURAN-1(3H),9'-[9H]THIOXANTHENE]-3-ONE
CAS No: 94109-78-1 Catalog No: AG0067TW MDL No:
Product Description
Catalog Number:
AG0067TW
Chemical Name:
3',6'-DIHYDROXYSPIRO[ISOBENZOFURAN-1(3H),9'-[9H]THIOXANTHENE]-3-ONE
CAS Number:
94109-78-1
Molecular Formula:
C20H12O4S
Molecular Weight:
348.3719
IUPAC Name:
3',6'-dihydroxyspiro[2-benzofuran-3,9'-thioxanthene]-1-one
InChI:
InChI=1S/C20H12O4S/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)24-20/h1-10,21-22H
InChI Key:
PTTMNOGNUQNMFO-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)Sc1c(C32OC(=O)c2c3cccc2)ccc(c1)O
EC Number:
302-518-5
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.046g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.372g/mol
Monoisotopic Mass:
348.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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