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178549-33-2 | Benzene, 1-[[(1,1-dimethylethyl)sulfinyl]methyl]-4-methoxy-
CAS No: 178549-33-2 Catalog No: AG00265Q MDL No:
Product Description
Catalog Number:
AG00265Q
Chemical Name:
Benzene, 1-[[(1,1-dimethylethyl)sulfinyl]methyl]-4-methoxy-
CAS Number:
178549-33-2
Molecular Formula:
C12H18O2S
Molecular Weight:
226.3351
IUPAC Name:
1-(tert-butylsulfinylmethyl)-4-methoxybenzene
InChI:
InChI=1S/C12H18O2S/c1-12(2,3)15(13)9-10-5-7-11(14-4)8-6-10/h5-8H,9H2,1-4H3
InChI Key:
CNJULPHJOVELAY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CS(=O)C(C)(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.103g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.334g/mol
Monoisotopic Mass:
226.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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