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14016-01-4 | 3-Hydroxyisoxazole-5-carboxamide
CAS No: 14016-01-4 Catalog No: AG007ZXB MDL No:
Product Description
Catalog Number:
AG007ZXB
Chemical Name:
3-Hydroxyisoxazole-5-carboxamide
CAS Number:
14016-01-4
Molecular Formula:
C4H4N2O3
Molecular Weight:
128.0862
IUPAC Name:
3-oxo-1,2-oxazole-5-carboxamide
InChI:
InChI=1S/C4H4N2O3/c5-4(8)2-1-3(7)6-9-2/h1H,(H2,5,8)(H,6,7)
InChI Key:
VAXZHEOQJVBMQW-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(no1)O
NSC Number:
157968
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.022g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.087g/mol
Monoisotopic Mass:
128.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Imaging GABAc receptors with ligand-conjugated quantum dots. | Journal of biomedicine & biotechnology 20070101 |
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