956595-45-2 Purity
96%
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Specification
The molecular formula is C10H11N3O3.
The molecular weight is 221.21 g/mol.
The IUPAC name is 5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
The InChI is InChI=1S/C10H11N3O3/c1-6-3-11-13(4-6)5-8-7(2)16-12-9(8)10(14)15/h3-4H,5H2,1-2H3,(H,14,15).
The InChIKey is HOPCBVGVMTZTOG-UHFFFAOYSA-N.
The canonical SMILES is CC1=CN(N=C1)CC2=C(ON=C2C(=O)O).
The CAS number is 956628-37-8.
The XLogP3-AA value is 0.9.
The compound has 1 hydrogen bond donor count.
The compound has 5 hydrogen bond acceptor count.