Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CC1=CCc2ccccc21
- InChIKey
- COOKKJGOGWACMY-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
1155;193.4;183.8;184.1
1596.6
ALIASES
名称与别名
3-METHYL-1H-INDENE767-60-23-Methylindene1-Methyl-3H-indeneIndene, 3-methyl-UNII-MP8C8AZ4ZFMP8C8AZ4ZFNSC-62565DTXSID40227496NSC 62565RefChem:94920DTXCID40149987COOKKJGOGWACMY-UHFFFAOYSA-NInChI=1/C10H10/c1-8-6-7-9-4-2-3-5-10(8)9/h2-6H,7H2,1H1H-Indene, 3-methyl-MFCD006744873-methyl-indeneNSC62565SCHEMBL216842SCHEMBL308272
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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