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883905-52-0 | Phosphonic acid, [(4,4-dimethyl-2-oxo-3-oxazolidinyl)methyl]-
CAS No: 883905-52-0 Catalog No: AG008D5Y MDL No:
Product Description
Catalog Number:
AG008D5Y
Chemical Name:
Phosphonic acid, [(4,4-dimethyl-2-oxo-3-oxazolidinyl)methyl]-
CAS Number:
883905-52-0
Molecular Formula:
C6H12NO5P
Molecular Weight:
209.1369
IUPAC Name:
(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methylphosphonic acid
InChI:
InChI=1S/C6H12NO5P/c1-6(2)3-12-5(8)7(6)4-13(9,10)11/h3-4H2,1-2H3,(H2,9,10,11)
InChI Key:
GLJQEHSIBRQJCB-UHFFFAOYSA-N
SMILES:
O=C1OCC(N1CP(=O)(O)O)(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.138g/mol
Monoisotopic Mass:
209.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| [(4,4-Dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid. | Acta crystallographica. Section C, Crystal structure communications 20061101 |
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