| CAS Number | 1188375-37-2 |
| Catalog Number | AG0097GX(AGN-PC-0WCYH8) |
| Chemical Name | 1-CYCLOPROPYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID |
| IUPAC Name | 1-cyclopropyltriazole-4-carboxylic acid |
| InChI | InChI=1S/C6H7N3O2/c10-6(11)5-3-9(8-7-5)4-1-2-4/h3-4H,1-2H2,(H,10,11) |
| InChI Key | HBRVWQZNYJKJEF-UHFFFAOYSA-N |
| MDL Number | MFCD20524847 |
| Molecular Formula | C6H7N3O2 |
| Molecular Weight | 153.1387 |
| SMILES | OC(C1N=NN(C2CC2)C=1)=O |
| Synonyms | 1-Cyclopropyl-1H-1,2,3-triazole-4-carboxylic acid,
1188375-37-2,
1-cyclopropyl-1H-[1,2,3]triazole-4-carboxylic acid,
SCHEMBL70303,
HBRVWQZNYJKJEF-UHFFFAOYSA-N,
ZINC71654885,
AKOS023125166,
DS-11267,
Z2510258230,
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| Complexity | 181 |
| 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 | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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