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88041-69-4 | Benzene, 1-methoxy-4-(1-methylethyl)-2-(methylsulfonyl)-
CAS No: 88041-69-4 Catalog No: AG004MO8 MDL No:
Product Description
Catalog Number:
AG004MO8
Chemical Name:
Benzene, 1-methoxy-4-(1-methylethyl)-2-(methylsulfonyl)-
CAS Number:
88041-69-4
Molecular Formula:
C11H16O3S
Molecular Weight:
228.3079
IUPAC Name:
1-methoxy-2-methylsulfonyl-4-propan-2-ylbenzene
InChI:
InChI=1S/C11H16O3S/c1-8(2)9-5-6-10(14-3)11(7-9)15(4,12)13/h5-8H,1-4H3
InChI Key:
UROVTLZNWVJNNB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)C)C(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.306g/mol
Monoisotopic Mass:
228.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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