CAS
3779-42-8 Purity
99%
3779-42-8 Purity
99%
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Specification
The molecular formula is C9H6N2O3.
It was created on 2007-12-05.
The IUPAC name is 5-phenyl-1,2,4-oxadiazole-3-carboxylic acid.
The InChIKey is FBWZBUNNSOZSSJ-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C=C1)C2=NC(=NO2)C(=O)O.
The molecular weight is 190.16 g/mol.
It has 1 hydrogen bond donor count.
The topological polar surface area is 76.2 Å2.
Yes, it is a canonicalized compound.
The exact mass is 190.03784206 g/mol.