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7517-99-9 | 5-(Hydroxymethyl);oxazolidin-2-one
CAS No: 7517-99-9 Catalog No: AG003M7L MDL No:MFCD05721226
Product Description
Catalog Number:
AG003M7L
Chemical Name:
5-(Hydroxymethyl);oxazolidin-2-one
CAS Number:
7517-99-9
Molecular Formula:
C4H7NO3
Molecular Weight:
117.1033
MDL Number:
MFCD05721226
IUPAC Name:
5-(hydroxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C4H7NO3/c6-2-3-1-5-4(7)8-3/h3,6H,1-2H2,(H,5,7)
InChI Key:
LSYOFPBORRARMF-UHFFFAOYSA-N
SMILES:
OCC1CNC(=O)O1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
117.104g/mol
Monoisotopic Mass:
117.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Discovery of torezolid as a novel 5-hydroxymethyl-oxazolidinone antibacterial agent. | European journal of medicinal chemistry 20110401 |
| 5-Hydroxymethyl-oxazolidin-2-one antibacterials. Actelion Pharmaceuticals: WO2008062379. | Expert opinion on therapeutic patents 20090401 |
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