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88041-73-0 | Benzene, 4-(1,1-dimethylpropyl)-1-methoxy-2-(methylsulfonyl)-
CAS No: 88041-73-0 Catalog No: AG004G44 MDL No:
Product Description
Catalog Number:
AG004G44
Chemical Name:
Benzene, 4-(1,1-dimethylpropyl)-1-methoxy-2-(methylsulfonyl)-
CAS Number:
88041-73-0
Molecular Formula:
C13H20O3S
Molecular Weight:
256.3611
IUPAC Name:
1-methoxy-4-(2-methylbutan-2-yl)-2-methylsulfonylbenzene
InChI:
InChI=1S/C13H20O3S/c1-6-13(2,3)10-7-8-11(16-4)12(9-10)17(5,14)15/h7-9H,6H2,1-5H3
InChI Key:
HODQBTBURVDTTI-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)S(=O)(=O)C)OC)(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.113g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.36g/mol
Monoisotopic Mass:
256.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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