| CAS Number | 1333542-85-0 |
| Catalog Number | AG0014Q3(AGN-PC-0WNROX) |
| Chemical Name | 1H-1,2,3-Triazole-4-carboxylic acid, 1-cyclohexyl- |
| IUPAC Name | 1-cyclohexyltriazole-4-carboxylic acid |
| InChI | InChI=1S/C9H13N3O2/c13-9(14)8-6-12(11-10-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14) |
| InChI Key | OHQZQJMGYRDNTQ-UHFFFAOYSA-N |
| MDL Number | MFCD11619028 |
| Molecular Formula | C9H13N3O2 |
| Molecular Weight | 195.2184 |
| SMILES | O=C(C1=CN(C2CCCCC2)N=N1)O |
| Synonyms | 1-cyclohexyl-1H-1,2,3-triazole-4-carboxylic acid,
1333542-85-0,
ZINC50213582,
AKOS008149910,
MCULE-8344434704,
NE55555,
AJ-111560,
EN300-83259,
1H-1,2,3-Triazole-4-carboxylic acid, 1-cyclohexyl-,
F1907-0049,
Z1250100765,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.222g/mol |
| Monoisotopic Mass | 195.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number