uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05623022
查看IDENTITY
结构与身份
- 标准SMILES
- CC1=Cc2ccccc2C1
- InChIKey
- YSAXEHWHSLANOM-UHFFFAOYSA-N
- 分子式
- C10H10
- 平均分子量
- 130.19 g/mol
- 单同位素质量
- 130.07825032
COMPUTED
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 0 Ų
- 氢键供体
- 0
- 氢键受体
- 0
- 可旋转键
- 0
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 155
PROPERTIES
实验与物化性质
Kovats Retention Index
1054.1;1057.7;1054.1;1057.7;1052;1056;184.4;184.7;192.61;192
ALIASES
名称与别名
2-METHYL-1H-INDENE2-Methylindene1H-Indene, 2-methyl-Indene, 2-methyl-22LC0EG9LPUNII-22LC0EG9LPDTXSID00176173RefChem:79848DTXCID7098664InChI=1/C10H10/c1-8-6-9-4-2-3-5-10(9)7-8/h2-6H,7H2,1HYSAXEHWHSLANOM-UHFFFAOYSA-N2177-47-1MFCD002742532-methylinden2-Methylindene, 98%SCHEMBL60946SCHEMBL319633SCHEMBL348044orb3023305SCHEMBL2974118
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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