CAS
2232-08-8 Purity
99%
2232-08-8 Purity
99%
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1-Ethyl-1H-iMidazole-5-carboxylic acid
CAS
71925-11-6
Catalog Number
ACM71925116
Category
Imidazoles
Molecular Weight
140.13
Molecular Formula
C6H8N2O2
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Specification
Appearance
Solid
What is the molecular formula of 1-Ethyl-1H-imidazole-5-carboxylic acid?
The molecular formula is C6H8N2O2.
What is the molecular weight of 1-Ethyl-1H-imidazole-5-carboxylic acid?
The molecular weight is 140.14 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-ethylimidazole-4-carboxylic acid.
What is the InChI code for 1-Ethyl-1H-imidazole-5-carboxylic acid?
The InChI code is InChI=1S/C6H8N2O2/c1-2-8-4-7-3-5(8)6(9)10/h3-4H,2H2,1H3,(H,9,10).
What is the InChIKey for this compound?
The InChIKey is QXDVIFCTZBKLMY-UHFFFAOYSA-N.
What is the canonical SMILES notation for the compound?
The canonical SMILES notation is CCN1C=NC=C1C(=O)O.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3-AA value for the compound?
The XLogP3-AA value is 0.2.
What is the topological polar surface area of the compound?
The topological polar surface area is 55.1 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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