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100669-01-0 | Benzene, [[(2,2-dimethyl-6-methylenecyclohexyl)methyl]sulfonyl]-
CAS No: 100669-01-0 Catalog No: AG0002LE MDL No:
Product Description
Catalog Number:
AG0002LE
Chemical Name:
Benzene, [[(2,2-dimethyl-6-methylenecyclohexyl)methyl]sulfonyl]-
CAS Number:
100669-01-0
Molecular Formula:
C16H22O2S
Molecular Weight:
278.4097
IUPAC Name:
(2,2-dimethyl-6-methylidenecyclohexyl)methylsulfonylbenzene
InChI:
InChI=1S/C16H22O2S/c1-13-8-7-11-16(2,3)15(13)12-19(17,18)14-9-5-4-6-10-14/h4-6,9-10,15H,1,7-8,11-12H2,2-3H3
InChI Key:
OCXQYQKIYOWNOU-UHFFFAOYSA-N
SMILES:
C=C1CCCC(C1CS(=O)(=O)c1ccccc1)(C)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.134g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.41g/mol
Monoisotopic Mass:
278.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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