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17414-14-1 | Benzene, [(1,2-dimethyl-1-propen-1-yl)sulfinyl]-
CAS No: 17414-14-1 Catalog No: AG001ZHC MDL No:
Product Description
Catalog Number:
AG001ZHC
Chemical Name:
Benzene, [(1,2-dimethyl-1-propen-1-yl)sulfinyl]-
CAS Number:
17414-14-1
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
IUPAC Name:
3-methylbut-2-en-2-ylsulfinylbenzene
InChI:
InChI=1S/C11H14OS/c1-9(2)10(3)13(12)11-7-5-4-6-8-11/h4-8H,1-3H3
InChI Key:
MWJHJEBZUCGRCH-UHFFFAOYSA-N
SMILES:
CC(=C(C)C)S(=O)c1ccccc1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.292g/mol
Monoisotopic Mass:
194.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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