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85117-74-4 | 3-(1,1-DIMETHYLETHYL)-5-[[[(4-METHYLPHENYL)SULFONYL]OXY]METHYL]OXAZOLIDIN-2-ONE
CAS No: 85117-74-4 Catalog No: AG004RCI MDL No:
Product Description
Catalog Number:
AG004RCI
Chemical Name:
3-(1,1-DIMETHYLETHYL)-5-[[[(4-METHYLPHENYL)SULFONYL]OXY]METHYL]OXAZOLIDIN-2-ONE
CAS Number:
85117-74-4
Molecular Formula:
C15H21NO5S
Molecular Weight:
327.3959
IUPAC Name:
(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C15H21NO5S/c1-11-5-7-13(8-6-11)22(18,19)20-10-12-9-16(14(17)21-12)15(2,3)4/h5-8,12H,9-10H2,1-4H3
InChI Key:
AMLLKTNBWNUPMG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCC1OC(=O)N(C1)C(C)(C)C
EC Number:
285-623-8
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.395g/mol
Monoisotopic Mass:
327.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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