| CAS Number | 1012081-60-5 |
| Catalog Number | AG01C4VV |
| Chemical Name | 1-(prop-2-en-1-yl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-prop-2-enyltriazole-4-carboxylic acid |
| InChI | InChI=1S/C6H7N3O2/c1-2-3-9-4-5(6(10)11)7-8-9/h2,4H,1,3H2,(H,10,11) |
| InChI Key | QACGJWPGZYTCSY-UHFFFAOYSA-N |
| MDL Number | MFCD19270794 |
| Molecular Formula | C6H7N3O2 |
| Molecular Weight | 153.1387 |
| SMILES | OC(C1N=NN(CC=C)C=1)=O |
| Synonyms | 1-(prop-2-en-1-yl)-1H-1,2,3-triazole-4-carboxylic acid,
1012081-60-5,
CHEMBL256662,
ZINC29127702,
AKOS022442376,
Z2418193660,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.141g/mol |
| Monoisotopic Mass | 153.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number