Structure

Ethyl imidazole-4-carboxylate

CAS
23785-21-9
Catalog Number
ACM23785219
Category
Imidazoles
Molecular Weight
140.14
Molecular Formula
C6H8N2O2

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Specification

Melting Point
156-159°C
Appearance
White Solid
What is the molecular formula of ethyl imidazole-4-carboxylate?

The molecular formula of ethyl imidazole-4-carboxylate is C6H8N2O2.

What is the molecular weight of ethyl imidazole-4-carboxylate?

The molecular weight of ethyl imidazole-4-carboxylate is 140.14 g/mol.

What is the IUPAC name of ethyl imidazole-4-carboxylate?

The IUPAC name of ethyl imidazole-4-carboxylate is ethyl 1H-imidazole-5-carboxylate.

What is the InChI of ethyl imidazole-4-carboxylate?

The InChI of ethyl imidazole-4-carboxylate is InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-4-8-5/h3-4H,2H2,1H3,(H,7,8).

What is the InChIKey of ethyl imidazole-4-carboxylate?

The InChIKey of ethyl imidazole-4-carboxylate is KLWYPRNPRNPORS-UHFFFAOYSA-N.

What is the canonical SMILES of ethyl imidazole-4-carboxylate?

The canonical SMILES of ethyl imidazole-4-carboxylate is CCOC(=O)C1=CN=CN1.

What is the CAS number of ethyl imidazole-4-carboxylate?

The CAS number of ethyl imidazole-4-carboxylate is 23785-21-9.

How many hydrogen bond donor counts does ethyl imidazole-4-carboxylate have?

Ethyl imidazole-4-carboxylate has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does ethyl imidazole-4-carboxylate have?

Ethyl imidazole-4-carboxylate has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of ethyl imidazole-4-carboxylate?

The topological polar surface area of ethyl imidazole-4-carboxylate is 55.2.

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