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132545-47-2 | Dispiro[3.1.3.1]decane-2,2-dicarboxylic acid, 8,8-bis[[(methylsulfonyl)oxy]methyl]-, 2,2-diethyl ester
CAS No: 132545-47-2 Catalog No: AG0010TG MDL No:
Product Description
Catalog Number:
AG0010TG
Chemical Name:
Dispiro[3.1.3.1]decane-2,2-dicarboxylic acid, 8,8-bis[[(methylsulfonyl)oxy]methyl]-, 2,2-diethyl ester
CAS Number:
132545-47-2
Molecular Formula:
C20H32O10S2
Molecular Weight:
496.5921
IUPAC Name:
diethyl 8,8-bis(methylsulfonyloxymethyl)dispiro[3.1.36.14]decane-2,3-dicarboxylate
InChI:
InChI=1S/C20H32O10S2/c1-5-27-16(21)14-7-20(15(14)17(22)28-6-2)10-18(11-20)8-19(9-18,12-29-31(3,23)24)13-30-32(4,25)26/h14-15H,5-13H2,1-4H3
InChI Key:
LJEMZAKSCAFVLV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC2(C1)CC1(C2)CC(C1)(COS(=O)(=O)C)COS(=O)(=O)C)C(=O)OCC
Properties
Complexity:
905
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.144g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
496.586g/mol
Monoisotopic Mass:
496.144g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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