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83872-56-4 | 2-Butanol, 2-methyl-4-(phenylsulfonyl)-
CAS No: 83872-56-4 Catalog No: AG004RUI MDL No:
Product Description
Catalog Number:
AG004RUI
Chemical Name:
2-Butanol, 2-methyl-4-(phenylsulfonyl)-
CAS Number:
83872-56-4
Molecular Formula:
C11H16O3S
Molecular Weight:
228.3079
IUPAC Name:
4-(benzenesulfonyl)-2-methylbutan-2-ol
InChI:
InChI=1S/C11H16O3S/c1-11(2,12)8-9-15(13,14)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChI Key:
IYWQJVMVXOZFIG-UHFFFAOYSA-N
SMILES:
CC(CCS(=O)(=O)c1ccccc1)(O)C
Properties
Complexity:
281
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:
1
Isotope Atom Count:
0
Molecular Weight:
228.306g/mol
Monoisotopic Mass:
228.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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