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88041-63-8 | Phenol, 4-(1,1-dimethylpropyl)-2-(methylsulfonyl)-
CAS No: 88041-63-8 Catalog No: AG004MOB MDL No:
Product Description
Catalog Number:
AG004MOB
Chemical Name:
Phenol, 4-(1,1-dimethylpropyl)-2-(methylsulfonyl)-
CAS Number:
88041-63-8
Molecular Formula:
C12H18O3S
Molecular Weight:
242.3345
IUPAC Name:
4-(2-methylbutan-2-yl)-2-methylsulfonylphenol
InChI:
InChI=1S/C12H18O3S/c1-5-12(2,3)9-6-7-10(13)11(8-9)16(4,14)15/h6-8,13H,5H2,1-4H3
InChI Key:
XXBSZIQIMUVFHD-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)S(=O)(=O)C)O)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.333g/mol
Monoisotopic Mass:
242.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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