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82796-40-5 | 2-Oxazolidinone, 5-(hydroxymethyl)-3-[4-(methylthio)phenyl]-, (R)-
CAS No: 82796-40-5 Catalog No: AG008IJ5 MDL No:
Product Description
Catalog Number:
AG008IJ5
Chemical Name:
2-Oxazolidinone, 5-(hydroxymethyl)-3-[4-(methylthio)phenyl]-, (R)-
CAS Number:
82796-40-5
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
IUPAC Name:
(5R)-5-(hydroxymethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C11H13NO3S/c1-16-10-4-2-8(3-5-10)12-6-9(7-13)15-11(12)14/h2-5,9,13H,6-7H2,1H3/t9-/m1/s1
InChI Key:
QPXCTJMLKKNYGA-SECBINFHSA-N
SMILES:
OC[C@H]1CN(C(=O)O1)c1ccc(cc1)SC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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