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97899-36-0 | (2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzene-1-sulfonate
CAS No: 97899-36-0 Catalog No: AG01AMXH MDL No:MFCD26399732
Product Description
Catalog Number:
AG01AMXH
Chemical Name:
(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzene-1-sulfonate
CAS Number:
97899-36-0
Molecular Formula:
C11H13NO5S
Molecular Weight:
271.2896
MDL Number:
MFCD26399732
IUPAC Name:
(2-oxo-1,3-oxazolidin-4-yl)methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C11H13NO5S/c1-8-2-4-10(5-3-8)18(14,15)17-7-9-6-16-11(13)12-9/h2-5,9H,6-7H2,1H3,(H,12,13)
InChI Key:
XZXRYNVWWTZADH-UHFFFAOYSA-N
SMILES:
O=C1OCC(N1)COS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.287g/mol
Monoisotopic Mass:
271.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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