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121587-29-9 | 1-Butanol, 2-methyl-4-(phenylsulfonyl)-, (2S)-
CAS No: 121587-29-9 Catalog No: AG0015CB MDL No:
Product Description
Catalog Number:
AG0015CB
Chemical Name:
1-Butanol, 2-methyl-4-(phenylsulfonyl)-, (2S)-
CAS Number:
121587-29-9
Molecular Formula:
C11H16O3S
Molecular Weight:
228.3079
IUPAC Name:
(2S)-4-(benzenesulfonyl)-2-methylbutan-1-ol
InChI:
InChI=1S/C11H16O3S/c1-10(9-12)7-8-15(13,14)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m0/s1
InChI Key:
VZUBNCGOEFLUFI-JTQLQIEISA-N
SMILES:
OC[C@H](CCS(=O)(=O)c1ccccc1)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
5
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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