HCID255221

2,3-Dihydro-1h-inden-2-yl methanesulfonate

C10H12O3S212.27 g/molCAS 777-72-0

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IDENTITY

结构与身份

标准SMILES: CS(=O)(=O)OC1Cc2ccccc2C1
InChIKey: CFIDFVNAHVRFGT-UHFFFAOYSA-N
分子式: C10H12O3S
平均分子量: 212.27 g/mol
单同位素质量: 212.05071541

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 51.8 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 277

ALIASES

名称与别名

共 20 条

2,3-dihydro-1h-inden-2-yl methanesulfonate777-72-0MFCD151432051H-Inden-2-ol, 2,3-dihydro-, methanesulfonateNSC805652-methylsulphonyloxyindaneindan-2-yl methanesulfonatemethansulfonic acid 2,3-dihydro-1H-inden-2-yl esterSCHEMBL1415538DTXSID90292154CFIDFVNAHVRFGT-UHFFFAOYSA-NALBB-013391NSC-80565Methanesulfonic acid indan-2-yl esterAKOS005174058methanesulfonic acid indane-2-yl esterLS-041622,3-dihydro-1h-inden-2-ylmethanesulfonateDB-127385CS-0208053

REACTIONS

参与反应

16 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08486984B2

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08486984B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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