| CAS Number | 1394041-88-3 |
| Catalog Number | AG019ZYS(AGN-PC-0WO3Z2) |
| Chemical Name | 2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)acetic acid |
| IUPAC Name | 2-(4-cyclopropyltriazol-1-yl)acetic acid |
| InChI | InChI=1S/C7H9N3O2/c11-7(12)4-10-3-6(8-9-10)5-1-2-5/h3,5H,1-2,4H2,(H,11,12) |
| InChI Key | PGGUTDRSAKTKPT-UHFFFAOYSA-N |
| MDL Number | MFCD22375382 |
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.1653 |
| SMILES | OC(CN1N=NC(C2CC2)=C1)=O |
| Synonyms | 2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)acetic acid,
1394041-88-3,
AS-43174,
(4-cyclopropyl-1H-1,2,3-triazol-1-yl)acetic acid,
Z1416282601,
SCHEMBL12985206,
PGGUTDRSAKTKPT-UHFFFAOYSA-N,
MFCD22375382,
ZINC75772259,
AKOS026727369,
MCULE-8660889664,
NE38335,
RP23010,
|
| Complexity | 193 |
| 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 | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number