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141632-48-6 | 2-Butanol, 2,3-dimethyl-4-(phenylsulfonyl)-, acetate, (S)- (9CI)
CAS No: 141632-48-6 Catalog No: AG001GPL MDL No:
Product Description
Catalog Number:
AG001GPL
Chemical Name:
2-Butanol, 2,3-dimethyl-4-(phenylsulfonyl)-, acetate, (S)- (9CI)
CAS Number:
141632-48-6
Molecular Formula:
C14H20O4S
Molecular Weight:
284.3712
IUPAC Name:
acetic acid;4-(benzenesulfonyl)-2,3-dimethylbutan-2-ol
InChI:
InChI=1S/C12H18O3S.C2H4O2/c1-10(12(2,3)13)9-16(14,15)11-7-5-4-6-8-11;1-2(3)4/h4-8,10,13H,9H2,1-3H3;1H3,(H,3,4)
InChI Key:
MTLWRLVVWNFDBV-UHFFFAOYSA-N
SMILES:
C[C@@H](C(OC(=O)C)(C)C)CS(=O)(=O)c1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.385g/mol
Monoisotopic Mass:
302.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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