861206-02-2
ETHYL 2-[4-(4-METHOXYPHENYL)-3-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]ACETATE
NameETHYL 2-[4-(4-METHOXYPHENYL)-3-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]ACETATE
1Identification
【Name】
ETHYL 2-[4-(4-METHOXYPHENYL)-3-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]ACETATE
【CAS】
【MDL】
MFCD03787281
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H17 N3 O4
【pro_molWeight】
291.305
【Inchi】
InChI=1S/C14H17N3O4/c1-4-21-13(18)9-16-14(19)17(10(2)15-16)11-5-7-12(20-3)8-6-11/h5-8H,4,9H2,1-3H3
【InChIKey】
InChIKey=JANQWABAPTYGRN-UHFFFAOYSA-N
【SMILES】
CCOC(=O)Cn1c(=O)n(c(n1)C)c2ccc(cc2)OC
【MOL File】
ETHYL 2-[4-(4-METHOX….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 2-[4-(4-METHOXYPHENYL)-3-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]ACETATE.cml