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162655-06-3 | 7-Octen-4-one, 2,6-dimethyl-8-(phenylsulfonyl)-, (6R,7E)-
CAS No: 162655-06-3 Catalog No: AG001TAQ MDL No:
Product Description
Catalog Number:
AG001TAQ
Chemical Name:
7-Octen-4-one, 2,6-dimethyl-8-(phenylsulfonyl)-, (6R,7E)-
CAS Number:
162655-06-3
Molecular Formula:
C16H22O3S
Molecular Weight:
294.4091
IUPAC Name:
(6R)-8-(benzenesulfonyl)-2,6-dimethyloct-7-en-4-one
InChI:
InChI=1S/C16H22O3S/c1-13(2)11-15(17)12-14(3)9-10-20(18,19)16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3/t14-/m0/s1
InChI Key:
NLSJVHIHDRQKQE-AWEZNQCLSA-N
SMILES:
C[C@H](CC(=O)CC(C)C)/C=C/S(=O)(=O)c1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
294.129g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.409g/mol
Monoisotopic Mass:
294.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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