uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06136832
查看IDENTITY
结构与身份
- 标准SMILES
- C[C@@]1(c2ccc(-c3ccccc3)cc2)OC(=O)C(O)=C1O
- InChIKey
- DZLMJZCZQSYQFW-KRWDZBQOSA-N
- 分子式
- C17H14O4
- 平均分子量
- 282.29 g/mol
- 单同位素质量
- 282.08920892
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 66.8 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子
- 21
- 形式电荷
- 0
- 复杂度
- 442
ALIASES
名称与别名
SCHEMBL7983353DZLMJZCZQSYQFW-KRWDZBQOSA-N(S)-(+)-5-[(1, 1'-biphenyl)-4-yl]-3,4-dihydroxy-5-methyl-2(5H)-furanone(S)-(+)-5-[(1,1'-biphenyl)-4-yl]-3,4-dihydroxy-5-methyl-2(5H)-furanone
REACTIONS
参与反应
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