98555-51-2 Purity
98%
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Specification
The molecular formula of 3-cyano-5-nitrobenzoic acid is C8H4N2O4.
3-cyano-5-nitrobenzoic acid was created on PubChem on December 5, 2007.
The molecular weight of 3-cyano-5-nitrobenzoic acid is 192.13 g/mol.
The Canonical SMILES representation of 3-cyano-5-nitrobenzoic acid is C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C#N.
3-cyano-5-nitrobenzoic acid has 5 hydrogen bond acceptors.
The topological polar surface area of 3-cyano-5-nitrobenzoic acid is 107 Ų.
Yes, 3-cyano-5-nitrobenzoic acid is a canonicalized compound.
The InChIKey of 3-cyano-5-nitrobenzoic acid is GHUIBKBNBPSUTC-UHFFFAOYSA-N.
3-cyano-5-nitrobenzoic acid has 1 rotatable bond.
The complexity of 3-cyano-5-nitrobenzoic acid is 300.