CAS
91144-23-9 Purity
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91144-23-9 Purity
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1H-Pyrazole-4-carboxylicacid,3-(4-pyridinyl)-,ethyl ester
CAS
911462-21-0
Catalog Number
ACM911462210
Category
Other Products
Molecular Formula
C11H11N3O2
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What is the molecular formula of the compound?
The molecular formula of the compound is C11H11N3O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 217.22 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is "ethyl 5-pyridin-4-yl-1H-pyrazole-4-carboxylate".
What is the InChI of the compound?
The InChI of the compound is "InChI=1S/C11H11N3O2/c1-2-16-11(15)9-7-13-14-10(9)8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,13,14)".
What is the InChIKey of the compound?
The InChIKey of the compound is "HDEPJTMJSWNRPC-UHFFFAOYSA-N".
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is "CCOC(=O)C1=C(NN=C1)C2=CC=NC=C2".
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 4 hydrogen bond acceptor count.
How many rotatable bond count does the compound have?
The compound has 4 rotatable bond count.
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CAS
911466-98-3 Purity
96%
911466-98-3 Purity
96%
