HCID2974241

2-Butoxy-3-methoxybenzaldehyde

C12H16O3208.25 g/molCAS 65712-73-4

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IDENTITY

结构与身份

标准SMILES: CCCCOc1c(C=O)cccc1OC
InChIKey: KFSWONZYRSVJJQ-UHFFFAOYSA-N
分子式: C12H16O3
平均分子量: 208.25 g/mol
单同位素质量: 208.10994437

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 35.5 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 6
重原子: 15
形式电荷: 0
复杂度: 182

ALIASES

名称与别名

共 15 条

2-butoxy-3-methoxybenzaldehyde65712-73-4DTXSID90388046RefChem:257964DTXCID40339068MFCD073585682-butoxy-3-methoxy-benzaldehyde2-n-Butoxy-3-methoxybenzaldehydeSCHEMBL636533AKOS005063155BS-36521DB-2032322-Hydroxy-3-methoxybenzaldehyde, butyl etherCS-0359126F315616

REACTIONS

参与反应

4 条

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

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

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uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08119647B2

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uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08119647B2

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