CAS
1072-84-0 Purity
98%
1072-84-0 Purity
98%
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Specification
The molecular formula is C5H6N2O2.
The molecular weight is 126.11 g/mol.
The IUPAC name is methyl 1H-imidazole-5-carboxylate.
The InChI is InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-3-7-4/h2-3H,1H3,(H,6,7).
The InChIKey is DVLGIQNHKLWSRU-UHFFFAOYSA-N.
The canonical SMILES is COC(=O)C1=CN=CN1.
The CAS number is 17325-26-7.
The European Community (EC) number is 626-673-6.
The ChEMBL ID is CHEMBL1866040.
Yes, Methyl 4-imidazolecarboxylate is canonicalized.