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113420-80-7 | 2-Oxazolidinone, 5-[(acetyloxy)methyl]-, (S)- (9CI)
CAS No: 113420-80-7 Catalog No: AG0008IC MDL No:
Product Description
Catalog Number:
AG0008IC
Chemical Name:
2-Oxazolidinone, 5-[(acetyloxy)methyl]-, (S)- (9CI)
CAS Number:
113420-80-7
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
IUPAC Name:
(2-oxo-1,3-oxazolidin-5-yl)methyl acetate
InChI:
InChI=1S/C6H9NO4/c1-4(8)10-3-5-2-7-6(9)11-5/h5H,2-3H2,1H3,(H,7,9)
InChI Key:
OHZOQIREEKESQH-UHFFFAOYSA-N
SMILES:
CC(=O)OC[C@@H]1CNC(=O)O1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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