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263385-59-7 | 4-Isoxazolecarboxylic acid, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-
CAS No: 263385-59-7 Catalog No: AG002SSE MDL No:MFCD00126302
Product Description
Catalog Number:
AG002SSE
Chemical Name:
4-Isoxazolecarboxylic acid, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-
CAS Number:
263385-59-7
Molecular Formula:
C8H7N3O3S
Molecular Weight:
225.2245
MDL Number:
MFCD00126302
IUPAC Name:
3-methyl-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C8H7N3O3S/c1-3-5(8(12)13)6(14-10-3)7-4(2)9-11-15-7/h1-2H3,(H,12,13)
InChI Key:
FEZZINWSOIDPDN-UHFFFAOYSA-N
SMILES:
Cc1nnsc1c1onc(c1C(=O)O)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.222g/mol
Monoisotopic Mass:
225.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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