| CAS Number | 74731-49-0 |
| Catalog Number | AG019WJS(AGN-PC-0WO0XD) |
| Chemical Name | 1-(2-hydroxyethyl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-(2-hydroxyethyl)triazole-4-carboxylic acid |
| InChI | InChI=1S/C5H7N3O3/c9-2-1-8-3-4(5(10)11)6-7-8/h3,9H,1-2H2,(H,10,11) |
| InChI Key | BNFYIPJNVQYQDM-UHFFFAOYSA-N |
| MDL Number | MFCD11213557 |
| Molecular Formula | C5H7N3O3 |
| Molecular Weight | 157.1274 |
| SMILES | OCCN1N=NC(C(O)=O)=C1 |
| Synonyms | 1-(2-hydroxyethyl)-1H-1,2,3-triazole-4-carboxylic acid,
74731-49-0,
AC1Q7CZS,
SCHEMBL17630704,
CTK8A5115,
KS-000023LB,
MFCD11213557,
ZINC36379848,
AKOS008124337,
BS-9774,
MCULE-1624453829,
EN300-52193,
AB01003819-01,
1-(2-Hydroxyethyl)-1H-1,2,3-triazole-4-carboxylic acid, AldrichCPR,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.129g/mol |
| Monoisotopic Mass | 157.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number