1-Ethyl-1H-1,2,3-triazole-4-carboxylic acid - CAS 1211541-99-9
Catalog: |
BB005078 |
Product Name: |
1-Ethyl-1H-1,2,3-triazole-4-carboxylic acid |
CAS: |
1211541-99-9 |
Synonyms: |
1-ethyltriazole-4-carboxylic acid |
IUPAC Name: | 1-ethyltriazole-4-carboxylic acid |
Description: | 1-Ethyl-1H-1,2,3-triazole-4-carboxylic acid (CAS# 1211541-99-9) is a useful research chemical. |
Molecular Weight: | 141.13 |
Molecular Formula: | C5H7N3O2 |
Canonical SMILES: | CCN1C=C(N=N1)C(=O)O |
InChI: | InChI=1S/C5H7N3O2/c1-2-8-3-4(5(9)10)6-7-8/h3H,2H2,1H3,(H,9,10) |
InChI Key: | ZOIAVKVPWOFRSG-UHFFFAOYSA-N |
LogP: | -0.00380 |
Publication Number | Title | Priority Date |
CN-105585534-A | Preparation method of 1-subtituted-1H-1,2,3-triazole-4-carboxylic acid | 20141023 |
US-10487063-B2 | Preparation method for 1-substituted-1H-1,2,3-triazole 4-carboxylic acid | 20141023 |
US-2018029999-A1 | Preparation Method for 1-substituted-1H-1,2,3-triazole 4-carboxylic acid | 20141023 |
WO-2016062175-A1 | Preparation method for 1-substituted-1h-1,2,3-triazole-4-carboxylic acid | 20141023 |
US-2016016998-A1 | High-affinity matriptase inhibitors | 20130109 |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.053826475 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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