Home Carboxys 1,9-Thianthrenedicarboxylicacid

1,9-Thianthrenedicarboxylicacid

CAS No.:
86-67-9
Catalog Number:
AG004TCW
Molecular Formula:
C14H8O4S2
Molecular Weight:
304.3409
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Product Description
Catalog Number:
AG004TCW
Chemical Name:
1,9-Thianthrenedicarboxylicacid
CAS Number:
86-67-9
Molecular Formula:
C14H8O4S2
Molecular Weight:
304.3409
MDL Number:
MFCD12024635
IUPAC Name:
thianthrene-1,9-dicarboxylic acid
InChI:
InChI=1S/C14H8O4S2/c15-13(16)7-3-1-5-9-11(7)20-12-8(14(17)18)4-2-6-10(12)19-9/h1-6H,(H,15,16)(H,17,18)
InChI Key:
WKUMLCTUNDLANJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1Sc1c(S2)cccc1C(=O)O
EC Number:
201-691-3
Properties
Complexity:
378  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.986g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
304.334g/mol
Monoisotopic Mass:
303.986g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties