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76342-95-5 | 1,3-Dithietane-2,2,4,4-tetracarboxylicacid, 2,2,4,4-tetramethyl ester
CAS No: 76342-95-5 Catalog No: AG00562Z MDL No:
Product Description
Catalog Number:
AG00562Z
Chemical Name:
1,3-Dithietane-2,2,4,4-tetracarboxylicacid, 2,2,4,4-tetramethyl ester
CAS Number:
76342-95-5
Molecular Formula:
C10H12O8S2
Molecular Weight:
324.3275
IUPAC Name:
tetramethyl 1,3-dithietane-2,2,4,4-tetracarboxylate
InChI:
InChI=1S/C10H12O8S2/c1-15-5(11)9(6(12)16-2)19-10(20-9,7(13)17-3)8(14)18-4/h1-4H3
InChI Key:
XZLSYKXPOWTLDB-UHFFFAOYSA-N
SMILES:
COC(=O)C1(SC(S1)(C(=O)OC)C(=O)OC)C(=O)OC
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.997g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.318g/mol
Monoisotopic Mass:
323.997g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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