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1195-19-3 | 4-Oxazolidinecarboxylic acid, 5-methyl-2-oxo-
CAS No: 1195-19-3 Catalog No: AG000IVT MDL No:MFCD19219044
Product Description
Catalog Number:
AG000IVT
Chemical Name:
4-Oxazolidinecarboxylic acid, 5-methyl-2-oxo-
CAS Number:
1195-19-3
Molecular Formula:
C5H7NO4
Molecular Weight:
145.1134
MDL Number:
MFCD19219044
IUPAC Name:
5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
InChI:
InChI=1S/C5H7NO4/c1-2-3(4(7)8)6-5(9)10-2/h2-3H,1H3,(H,6,9)(H,7,8)
InChI Key:
KYNKAUUXUQOZSQ-UHFFFAOYSA-N
SMILES:
O=C1OC(C(N1)C(=O)O)C
NSC Number:
143122
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.114g/mol
Monoisotopic Mass:
145.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Oxazolidin-2-one-containing pseudopeptides that fold into beta-bend ribbon spirals. | Journal of the American Chemical Society 20060222 |
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