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100696-58-0 | Benzene, 1-methyl-4-[[1-methyl-1-(phenylmethyl)-2-propen-1-yl]sulfonyl]-
CAS No: 100696-58-0 Catalog No: AG0002ND MDL No:
Product Description
Catalog Number:
AG0002ND
Chemical Name:
Benzene, 1-methyl-4-[[1-methyl-1-(phenylmethyl)-2-propen-1-yl]sulfonyl]-
CAS Number:
100696-58-0
Molecular Formula:
C18H20O2S
Molecular Weight:
300.4152
IUPAC Name:
1-methyl-4-(2-methyl-1-phenylbut-3-en-2-yl)sulfonylbenzene
InChI:
InChI=1S/C18H20O2S/c1-4-18(3,14-16-8-6-5-7-9-16)21(19,20)17-12-10-15(2)11-13-17/h4-13H,1,14H2,2-3H3
InChI Key:
RRHGTWLJTAYLDW-UHFFFAOYSA-N
SMILES:
C=CC(S(=O)(=O)c1ccc(cc1)C)(Cc1ccccc1)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.118g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.416g/mol
Monoisotopic Mass:
300.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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