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Structure

3-CYANO-5-NITROBENZOIC ACID

CAS
98556-65-1
Catalog Number
ACM98556651
Category
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Specification

Synonyms
3-CYANO-5-NITROBENZOIC ACID
What is the molecular formula of 3-cyano-5-nitrobenzoic acid?

The molecular formula of 3-cyano-5-nitrobenzoic acid is C8H4N2O4.

When was 3-cyano-5-nitrobenzoic acid created on PubChem?

3-cyano-5-nitrobenzoic acid was created on PubChem on December 5, 2007.

What is the molecular weight of 3-cyano-5-nitrobenzoic acid?

The molecular weight of 3-cyano-5-nitrobenzoic acid is 192.13 g/mol.

What is the Canonical SMILES representation of 3-cyano-5-nitrobenzoic acid?

The Canonical SMILES representation of 3-cyano-5-nitrobenzoic acid is C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C#N.

How many hydrogen bond acceptors does 3-cyano-5-nitrobenzoic acid have?

3-cyano-5-nitrobenzoic acid has 5 hydrogen bond acceptors.

What is the topological polar surface area of 3-cyano-5-nitrobenzoic acid?

The topological polar surface area of 3-cyano-5-nitrobenzoic acid is 107 Ų.

Is 3-cyano-5-nitrobenzoic acid a canonicalized compound?

Yes, 3-cyano-5-nitrobenzoic acid is a canonicalized compound.

What is the InChIKey of 3-cyano-5-nitrobenzoic acid?

The InChIKey of 3-cyano-5-nitrobenzoic acid is GHUIBKBNBPSUTC-UHFFFAOYSA-N.

How many rotatable bonds does 3-cyano-5-nitrobenzoic acid have?

3-cyano-5-nitrobenzoic acid has 1 rotatable bond.

What is the complexity of 3-cyano-5-nitrobenzoic acid?

The complexity of 3-cyano-5-nitrobenzoic acid is 300.

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