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 |