HCID10333

1,3-Benzenediol, 4-methyl-

4-methylbenzene-1,3-diol

C7H8O2124.14 g/molCAS 496-73-1

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(O)cc1O
InChIKey: FNYDIAAMUCQQDE-UHFFFAOYSA-N
分子式: C7H8O2
平均分子量: 124.14 g/mol
单同位素质量: 124.05242949

COMPUTED

结构计算性质

等待补全

XLogP: 1.6
极性表面积: 40.5 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 92

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 39 条

4-METHYLRESORCINOL1,3-Benzenediol, 4-methyl-EINECS 207-827-8DTXSID2060092RefChem:72452DTXCID5040704207-827-84-methylbenzene-1,3-diol496-73-12,4-DihydroxytolueneMFCD00016452CHEMBL38284504-Methyl-1,3-benzenediol2,4-Dihydroxy-toluene4-Methylresorcinol, 97%SCHEMBL63180SCHEMBL98187ghl.PD_Mitscher_leg0.301SCHEMBL929876SCHEMBL2051690

REACTIONS

参与反应

30 条

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05242796

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uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05242796

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087602B2

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uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05625081

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829244B2

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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-1991_03 · 10.6084/m9.figshare.5104873.v1 · US05001147

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