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89050-56-6 | 2,7-Thianthrenedicarboxylic acid, bis[2-(2-hydroxyethoxy)ethyl] ester
CAS No: 89050-56-6 Catalog No: AG0042DL MDL No:
Product Description
Catalog Number:
AG0042DL
Chemical Name:
2,7-Thianthrenedicarboxylic acid, bis[2-(2-hydroxyethoxy)ethyl] ester
CAS Number:
89050-56-6
Molecular Formula:
C22H24O8S2
Molecular Weight:
480.5512
IUPAC Name:
bis[2-(2-hydroxyethoxy)ethyl] thianthrene-2,7-dicarboxylate
InChI:
InChI=1S/C22H24O8S2/c23-5-7-27-9-11-29-21(25)15-1-3-17-19(13-15)32-18-4-2-16(14-20(18)31-17)22(26)30-12-10-28-8-6-24/h1-4,13-14,23-24H,5-12H2
InChI Key:
PVDVRRCYZQGGPN-UHFFFAOYSA-N
SMILES:
OCCOCCOC(=O)c1ccc2c(c1)Sc1c(S2)cc(cc1)C(=O)OCCOCCO
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.091g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
480.546g/mol
Monoisotopic Mass:
480.091g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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