HCID11126607

3-(4-Methoxyphenyl)propanal

C10H12O2164.2 g/molCAS 20401-88-1

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IDENTITY

结构与身份

标准SMILES: COc1ccc(CCC=O)cc1
InChIKey: ZOXCMZXXNOSBHU-UHFFFAOYSA-N
分子式: C10H12O2
平均分子量: 164.2 g/mol
单同位素质量: 164.08372962

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 4
重原子: 12
形式电荷: 0
复杂度: 126

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Sens. 1 (100%)

ALIASES

名称与别名

共 30 条

3-(4-methoxyphenyl)propanal20401-88-1DTXSID60456100RefChem:274751DTXCID704069193-(4-METHOXYPHENYL)PROPIONALDEHYDEBENZENEPROPANAL, 4-METHOXY-4-MethoxybenzenepropanalMFCD006732053-(4-METHOXY-PHENYL)-PROPIONALDEHYDEp-anisyl acetaldehydeSCHEMBL692698SCHEMBL9110973-(4-methoxyphenyl) propanal3-(4-methoxyphenyl)-propanalSCHEMBL25581383-(4-methoxyphenyl)-1-propanalCHEBI:193706ZOXCMZXXNOSBHU-UHFFFAOYSA-N4-METHOXYHYDROCINNAMALDEHYDE

REACTIONS

参与反应

22 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 (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-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08883793B2

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uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05840732

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07767675B2

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07767675B2

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uspto-grants-2001_01 · 10.6084/m9.figshare.5104873.v1 · US06180635B2

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