| CAS Number | 959240-56-3 |
| Catalog Number | AG00H694(AGN-PC-0WB3YR) |
| Chemical Name | 3-(4-Methyl-4H-1,2,4-triazol-3-yl)propanoic acid |
| IUPAC Name | 3-(4-methyl-1,2,4-triazol-3-yl)propanoic acid |
| InChI | InChI=1S/C6H9N3O2/c1-9-4-7-8-5(9)2-3-6(10)11/h4H,2-3H2,1H3,(H,10,11) |
| InChI Key | BBTCDVHATAGJDI-UHFFFAOYSA-N |
| MDL Number | MFCD09864537 |
| Molecular Formula | C6H9N3O2 |
| Molecular Weight | 155.1546 |
| SMILES | N1(C)C=NN=C1CCC(O)=O |
| Synonyms | 3-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PROPANOIC ACID,
959240-56-3,
SCHEMBL9689158,
CTK5H8402,
DTXSID10650974,
MFCD09864537,
ZINC19092349,
AKOS011987367,
AJ-71805,
CS-0051737,
Y-5863,
2-chloro-7-methoxy-4-methylquinoline,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.157g/mol |
| Monoisotopic Mass | 155.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number