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10068-07-2 | 5-Isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester
CAS No: 10068-07-2 Catalog No: AG0002MG MDL No:MFCD00062870
Product Description
Catalog Number:
AG0002MG
Chemical Name:
5-Isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester
CAS Number:
10068-07-2
Molecular Formula:
C5H5NO4
Molecular Weight:
143.0975
MDL Number:
MFCD00062870
IUPAC Name:
methyl 3-oxo-1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C5H5NO4/c1-9-5(8)3-2-4(7)6-10-3/h2H,1H3,(H,6,7)
InChI Key:
BBFWUUBQSXVHHZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)[nH]o1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.022g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.098g/mol
Monoisotopic Mass:
143.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Imaging GABAc receptors with ligand-conjugated quantum dots. | Journal of biomedicine & biotechnology 20070101 |
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