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178316-78-4 | 4-Isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-
CAS No: 178316-78-4 Catalog No: AG0025Y1 MDL No:
Product Description
Catalog Number:
AG0025Y1
Chemical Name:
4-Isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-
CAS Number:
178316-78-4
Molecular Formula:
C4H3NO4
Molecular Weight:
129.0709
IUPAC Name:
3-oxo-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C4H3NO4/c6-3-2(4(7)8)1-9-5-3/h1H,(H,5,6)(H,7,8)
InChI Key:
JLPHBZYAQYOJND-UHFFFAOYSA-N
SMILES:
OC(=O)c1co[nH]c1=O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.006g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
129.071g/mol
Monoisotopic Mass:
129.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Discovery of N-hydroxyindole-based inhibitors of human lactate dehydrogenase isoform A (LDH-A) as starvation agents against cancer cells. | Journal of medicinal chemistry 20110324 |
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