7-ETHOXY-6-(3-METHYL-2-BUTENYL)-3-(1H-TETRAZOL-5-YL)-2H-1-BENZOPYRAN-2-ONE

CAS号
76239-49-1
CCD编号
CCD00252800
分子式
C17 H18 N4 O3
分子量
326.354

基本信息

产品名称: 7-ETHOXY-6-(3-METHYL-2-BUTENYL)-3-(1H-TETRAZOL-5-YL)-2H-1-BENZOPYRAN-2-ONE
CAS: 76239-49-1
英文同义词: 7-ETHOXY-6-(3-METHYL-2-BUTENYL)-3-(1H-TETRAZOL-5-YL)-2H-1-BENZOPYRAN-2-ONE
MDL号: MFCD01762836
氢键受体数量: 7
氢键供体数量: 1
Smile: CCOc1cc2c(cc1CC=C(C)C)cc(c(=O)o2)c3[nH]nnn3
InChi: InChI=1S/C17H18N4O3/c1-4-23-14-9-15-12(7-11(14)6-5-10(2)3)8-13(17(22)24-15)16-18-20-21-19-16/h5,7-9H,4,6H2,1-3H3,(H,18,19,20,21)
InChiKey: InChIKey=ACJONDVTWOHKQG-UHFFFAOYSA-N

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