| CAS Number | 1092300-57-6 |
| Catalog Number | AG01C2JX |
| Chemical Name | 1-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-(2-methoxyethyl)triazole-4-carboxylic acid |
| InChI | InChI=1S/C6H9N3O3/c1-12-3-2-9-4-5(6(10)11)7-8-9/h4H,2-3H2,1H3,(H,10,11) |
| InChI Key | ROSNWRPXSJVOIW-UHFFFAOYSA-N |
| MDL Number | MFCD10689515 |
| Molecular Formula | C6H9N3O3 |
| Molecular Weight | 171.1540 |
| SMILES | COCCN1N=NC(C(O)=O)=C1 |
| Synonyms | 1-(2-Methoxyethyl)-1H-1,2,3-triazole-4-carboxylic acid,
1092300-57-6,
SCHEMBL20702418,
ZINC26515783,
AKOS009296005,
Z2327883915,
1-(2-Methoxyethyl)-1H-1,2,3-triazole-4-carboxylic acid, AldrichCPR,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.156g/mol |
| Monoisotopic Mass | 171.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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Certificate of Analysis
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