1-(2-Ethoxy-2-oxoethyl)-1h-1,2,3-triazole-4-carboxylic acid

Name: 1-(2-Ethoxy-2-oxoethyl)-1h-1,2,3-triazole-4-carboxylic acid
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CAS No. 91616-28-3
Cat. No. CS-0236023
Molecule weight199.16
Purity≥95%
MDL No.None

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1-(2-Ethoxy-2-oxoethyl)-1h-1,2,3-triazole-4-carboxylic acid|CS-0236023

Structure of 91616-28-3

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General Information

CAS No. 91616-28-3
Cat. No. CS-0236023
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₉N₃O₄
Molecular Weight 199.16
Synonym(s) 1H-1,2,3-Triazole-1-acetic acid, 4-carboxy-, α-ethyl ester
SMILES CCOC(=O)CN1C=C(C(=O)O)N=N1

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 94.31
LogP -0.4606
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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1-(2-Ethoxy-2-oxoethyl)-1h-1,2,3-triazole-4-carboxylic acid

CAS No. 91616-28-3

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