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86030-84-4 | (1s)-2-hydroxy-1-phenylethyl 4-methylbenzenesulfonate
CAS No: 86030-84-4 Catalog No: AG004V1S MDL No:
Product Description
Catalog Number:
AG004V1S
Chemical Name:
(1s)-2-hydroxy-1-phenylethyl 4-methylbenzenesulfonate
CAS Number:
86030-84-4
Molecular Formula:
C15H16O4S
Molecular Weight:
292.3501
IUPAC Name:
[(1S)-2-hydroxy-1-phenylethyl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C15H16O4S/c1-12-7-9-14(10-8-12)20(17,18)19-15(11-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-/m1/s1
InChI Key:
JYWSJAIUCKNYFC-OAHLLOKOSA-N
SMILES:
OC[C@H](c1ccccc1)OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
292.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.349g/mol
Monoisotopic Mass:
292.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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