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50896-54-3 | (S)-(+)-1-Methylpropyl 4-methylbenzenesulfonate
CAS No: 50896-54-3 Catalog No: AG003CFX MDL No:
Product Description
Catalog Number:
AG003CFX
Chemical Name:
(S)-(+)-1-Methylpropyl 4-methylbenzenesulfonate
CAS Number:
50896-54-3
IUPAC Name:
[(2S)-butan-2-yl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C11H16O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3/t10-/m0/s1
InChI Key:
AYHWQTQILBGWRN-JTQLQIEISA-N
Properties
Complexity:
271
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:
0
Isotope Atom Count:
0
Molecular Weight:
228.306g/mol
Monoisotopic Mass:
228.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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