3-Deoxyzinnolide
HIT100421737
sdf文件结构编辑类似物检索
HIT ID: HIT100421737
Cas No: 17811-32-4
分子式: C15H18O4
分子量: 262.305
常用名: 3-Deoxyzinnolide
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 3.087
IUPAC: 4-methoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-1,3-dihydro-2-benzofuran-1-one
IUPAC: 4-methoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-1,3-dihydro-2-benzofuran-1-one
SMILES: [#6]-[#8]-c1c2-[#6]-[#8]-[#6](=O)-c2cc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])c1-[#6]
SMILES: [#6]-[#8]-c1c2-[#6]-[#8]-[#6](=O)-c2cc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])c1-[#6]
InChI key: BGCNHXQQGSIHRP-UHFFFAOYSA-N
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SC
3040 购物车
Analyticon
SC
39473-4周85% 购物车
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