HCID12178

3-Hexanol

hexan-3-ol

C6H14O102.17 g/molCAS 623-37-0

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IDENTITY

结构与身份

标准SMILES: CCCC(O)CC
InChIKey: ZOCHHNOQQHDWHG-UHFFFAOYSA-N
分子式: C6H14O
平均分子量: 102.17 g/mol
单同位素质量: 102.10446507

COMPUTED

结构计算性质

等待补全

XLogP: 1.7
极性表面积: 20.2 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 3
重原子: 7
形式电荷: 0
复杂度: 35

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 61 条

3-HEXANOLHexan-3-ol623-37-0Ethyl propyl carbinolEthylpropylcarbinol3-Hexanol (natural)FEMA No. 3351EINECS 210-790-0UNII-I1ZTO95J84NSC 60708Hexanol-(3)I1ZTO95J84FEMA 3351DL-3-HEXANOLNSC-607083-HEXANOL [FHFI]C2H5CH(OH)C3H7CHEBI:88653DTXSID708623143Hexyl alcohol

REACTIONS

参与反应

17 条

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

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uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07563819B1

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-1977_04 · 10.6084/m9.figshare.5104873.v1 · US04017505

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

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07135466B2

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07135466B2

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07135466B2

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