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88017-65-6 | Oxirane, 2-(4-methylphenyl)-3-[(4-methylphenyl)sulfonyl]-, trans-
CAS No: 88017-65-6 Catalog No: AG004GNP MDL No:
Product Description
Catalog Number:
AG004GNP
Chemical Name:
Oxirane, 2-(4-methylphenyl)-3-[(4-methylphenyl)sulfonyl]-, trans-
CAS Number:
88017-65-6
Molecular Formula:
C16H16O3S
Molecular Weight:
288.3614
IUPAC Name:
(2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyloxirane
InChI:
InChI=1S/C16H16O3S/c1-11-3-7-13(8-4-11)15-16(19-15)20(17,18)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3/t15-,16-/m0/s1
InChI Key:
BHEKIIRRJTVHDS-HOTGVXAUSA-N
SMILES:
Cc1ccc(cc1)[C@@H]1O[C@H]1S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
288.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.361g/mol
Monoisotopic Mass:
288.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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