| CAS Number | 1909313-01-4 |
| Catalog Number | AG01C3WA |
| Chemical Name | 1-(but-3-en-1-yl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-but-3-enyltriazole-4-carboxylic acid |
| InChI | InChI=1S/C7H9N3O2/c1-2-3-4-10-5-6(7(11)12)8-9-10/h2,5H,1,3-4H2,(H,11,12) |
| InChI Key | COECFTUPCXEQQH-UHFFFAOYSA-N |
| MDL Number | MFCD29762903 |
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.1653 |
| SMILES | OC(C1N=NN(CCC=C)C=1)=O |
| Synonyms | 1909313-01-4,
1-(but-3-en-1-yl)-1H-1,2,3-triazole-4-carboxylic acid,
AKOS033883589,
ZINC314327076,
Z2379087747,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.168g/mol |
| Monoisotopic Mass | 167.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number