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116349-05-4 | Octanoic acid, 6,8-bis[(methylsulfonyl)oxy]-, methyl ester, (6S)-
CAS No: 116349-05-4 Catalog No: AG000C9K MDL No:
Product Description
Catalog Number:
AG000C9K
Chemical Name:
Octanoic acid, 6,8-bis[(methylsulfonyl)oxy]-, methyl ester, (6S)-
CAS Number:
116349-05-4
Molecular Formula:
C11H22O8S2
Molecular Weight:
346.4176
IUPAC Name:
methyl (6S)-6,8-bis(methylsulfonyloxy)octanoate
InChI:
InChI=1S/C11H22O8S2/c1-17-11(12)7-5-4-6-10(19-21(3,15)16)8-9-18-20(2,13)14/h10H,4-9H2,1-3H3/t10-/m0/s1
InChI Key:
KOCQXDOLKXBSSN-JTQLQIEISA-N
SMILES:
COC(=O)CCCC[C@H](OS(=O)(=O)C)CCOS(=O)(=O)C
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
346.076g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.409g/mol
Monoisotopic Mass:
346.076g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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