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90995-03-2 | Octanoic acid, 6-(acetylthio)-8-(methylsulfonyl)-, methyl ester, (R)-
CAS No: 90995-03-2 Catalog No: AG006FRQ MDL No:
Product Description
Catalog Number:
AG006FRQ
Chemical Name:
Octanoic acid, 6-(acetylthio)-8-(methylsulfonyl)-, methyl ester, (R)-
CAS Number:
90995-03-2
Molecular Formula:
C12H22O5S2
Molecular Weight:
310.4301
IUPAC Name:
methyl 6-acetylsulfanyl-8-methylsulfonyloctanoate
InChI:
InChI=1S/C12H22O5S2/c1-10(13)18-11(8-9-19(3,15)16)6-4-5-7-12(14)17-2/h11H,4-9H2,1-3H3
InChI Key:
XKSDFWFESCJAIW-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC[C@@H](SC(=O)C)CCS(=O)(=O)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.423g/mol
Monoisotopic Mass:
310.091g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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