90770-30-2 Purity
96%
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Specification
The molecular formula is C10H8N2O3.
The molecular weight is 204.18 g/mol.
The IUPAC name is 5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid.
The InChI is InChI=1S/C10H8N2O3/c1-6-8(10(13)14)9(12-15-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,13,14).
The InChIKey is WHOBCXXYJKABST-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C(=NO1)C2=CC=NC=C2)C(=O)O.
The synonyms are 5-Methyl-3-pyridin-4-yl-isoxazole-4-carboxylic acid, 90771-23-6, 5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid, 5-methyl-3-(pyridin-4-yl)-1,2-oxazole-4-carboxylic acid, MLS000068065.
The CAS number is 90771-23-6.
The ChEMBL ID is CHEMBL1432922.
Yes, it is a canonicalized compound.