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Structure

Benzoic acid cyanomethyl ester

CAS
939-56-0
Catalog Number
ACM939560
Category
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What is the molecular formula of Benzoic acid cyanomethyl ester?

The molecular formula of Benzoic acid cyanomethyl ester is C9H7NO2.

When was Benzoic acid cyanomethyl ester created and last modified?

Benzoic acid cyanomethyl ester was created on 2005-03-26 and last modified on 2023-12-30.

What is the IUPAC Name of Benzoic acid cyanomethyl ester?

The IUPAC Name of Benzoic acid cyanomethyl ester is cyanomethyl benzoate.

What is the Canonical SMILES of Benzoic acid cyanomethyl ester?

The Canonical SMILES of Benzoic acid cyanomethyl ester is C1=CC=C(C=C1)C(=O)OCC#N.

What is the molecular weight of Benzoic acid cyanomethyl ester?

The molecular weight of Benzoic acid cyanomethyl ester is 161.16 g/mol.

What is the InChI of Benzoic acid cyanomethyl ester?

The InChI of Benzoic acid cyanomethyl ester is InChI=1S/C9H7NO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,7H2.

How many Hydrogen Bond Donor Count does Benzoic acid cyanomethyl ester have?

Benzoic acid cyanomethyl ester has 0 Hydrogen Bond Donor Count.

What is the Formal Charge of Benzoic acid cyanomethyl ester?

The Formal Charge of Benzoic acid cyanomethyl ester is 0.

How many Rotatable Bond Count does Benzoic acid cyanomethyl ester have?

Benzoic acid cyanomethyl ester has 3 Rotatable Bond Count.

Is the Compound Is Canonicalized for Benzoic acid cyanomethyl ester?

Yes, the Compound Is Canonicalized for Benzoic acid cyanomethyl ester.

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