| CAS Number | 1487350-26-4 |
| Catalog Number | AG01BTCI |
| Chemical Name | 1-[(oxolan-2-yl)methyl]-1H-1,2,3-triazole-4-carbaldehyde |
| IUPAC Name | 1-(oxolan-2-ylmethyl)triazole-4-carbaldehyde |
| InChI | InChI=1S/C8H11N3O2/c12-6-7-4-11(10-9-7)5-8-2-1-3-13-8/h4,6,8H,1-3,5H2 |
| InChI Key | RYDQBFKCXIUUJP-UHFFFAOYSA-N |
| MDL Number | MFCD21715286 |
| Molecular Formula | C8H11N3O2 |
| Molecular Weight | 181.1918 |
| SMILES | O=CC1N=NN(CC2OCCC2)C=1 |
| Synonyms | 1-[(oxolan-2-yl)methyl]-1H-1,2,3-triazole-4-carbaldehyde,
1487350-26-4,
AKOS015558413,
F2157-0641,
1-(oxolan-2-ylmethyl)-1H-1,2,3-triazole-4-carbaldehyde,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.195g/mol |
| Monoisotopic Mass | 181.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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