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288145-68-6 | Cyclooctene, 3-[(1,1-dimethylethyl)sulfonyl]-, (3S)-
CAS No: 288145-68-6 Catalog No: AG002WLU MDL No:
Product Description
Catalog Number:
AG002WLU
Chemical Name:
Cyclooctene, 3-[(1,1-dimethylethyl)sulfonyl]-, (3S)-
CAS Number:
288145-68-6
Molecular Formula:
C12H22O2S
Molecular Weight:
230.3669
IUPAC Name:
(3S)-3-tert-butylsulfonylcyclooctene
InChI:
InChI=1S/C12H22O2S/c1-12(2,3)15(13,14)11-9-7-5-4-6-8-10-11/h7,9,11H,4-6,8,10H2,1-3H3/t11-/m1/s1
InChI Key:
NYEHQUIZUYBTMT-LLVKDONJSA-N
SMILES:
O=S(=O)(C(C)(C)C)[C@H]1CCCCCC=C1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
230.134g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.366g/mol
Monoisotopic Mass:
230.134g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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