| Catalog Number | ACM75020416 |
| CAS | 75020-41-6 |
| IUPAC Name | ethyl 1-[(4-methoxyphenyl)methyl]-5-oxo-2H-triazole-4-carboxylate |
| Synonyms | ethyl 5-hydroxy-1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylate;75020-41-6;SCHEMBL1412576;OC1=C(C(=O)OCC)N=NN1CC1=CC=C(OC)C=C1;ethyl 1-[(4-methoxyphenyl)methyl]-5-oxo-2H-triazole-4-carboxylate;5-hydroxy-1-(4-methoxy-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester;5-Hydroxy-1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester;ethyl 5-hydroxy-1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight | 277.28g/mol |
| Molecular Formula | C13H15N3O4 |
| Canonical SMILES | CCOC(=O)C1=NNN(C1=O)CC2=CC=C(C=C2)OC |
| InChI | InChI=1S/C13H15N3O4/c1-3-20-13(18)11-12(17)16(15-14-11)8-9-4-6-10(19-2)7-5-9/h4-7,15H,3,8H2,1-2H3 |
| InChI Key | QWFITUXUBABYHT-UHFFFAOYSA-N |
| Complexity | 402 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 277.10625597g/mol |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Monoisotopic Mass | 277.10625597g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.2Ų |
| X Log P3 | 2.1 |