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192822-87-0 | 2-Oxazolidinone, 3-acetyl-4-methyl-5-phenyl-, (4R,5S)-rel-
CAS No: 192822-87-0 Catalog No: AG002GDT MDL No:
Product Description
Catalog Number:
AG002GDT
Chemical Name:
2-Oxazolidinone, 3-acetyl-4-methyl-5-phenyl-, (4R,5S)-rel-
CAS Number:
192822-87-0
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
(4S,5R)-3-acetyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H13NO3/c1-8-11(10-6-4-3-5-7-10)16-12(15)13(8)9(2)14/h3-8,11H,1-2H3/t8-,11-/m0/s1
InChI Key:
GCCVRCZMVYRDCO-KWQFWETISA-N
SMILES:
C[C@H]1N(C(=O)C)C(=O)O[C@H]1c1ccccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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