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89825-20-7 | 2-Oxazolidinone, 5-[(benzoyloxy)methyl]-3-(1,1-dimethylethyl)-, (S)-
CAS No: 89825-20-7 Catalog No: AG003Z2N MDL No:
Product Description
Catalog Number:
AG003Z2N
Chemical Name:
2-Oxazolidinone, 5-[(benzoyloxy)methyl]-3-(1,1-dimethylethyl)-, (S)-
CAS Number:
89825-20-7
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
IUPAC Name:
(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methyl benzoate
InChI:
InChI=1S/C15H19NO4/c1-15(2,3)16-9-12(20-14(16)18)10-19-13(17)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChI Key:
KEXXIWAXCKXKGF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OC[C@@H]1CN(C(=O)O1)C(C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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