HCID191414

Ethyl 4-(phenylmethoxy)benzoate

ethyl 4-phenylmethoxybenzoate

C16H16O3256.3 g/molCAS 56441-55-5

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1ccc(OCc2ccccc2)cc1
InChIKey: UMOKJIWMQFEFJE-UHFFFAOYSA-N
分子式: C16H16O3
平均分子量: 256.3 g/mol
单同位素质量: 256.10994437

COMPUTED

结构计算性质

已同步

XLogP: 3.6
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: 19
形式电荷: 0
复杂度: 263

GHS

GHS分类

GHS Classification

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

Hazard Classes and Categories

Eye Dam. 1 (100%)

ALIASES

名称与别名

共 31 条

56441-55-5Ethyl 4-benzyloxybenzoateBrl-10894ethyl 4-(phenylmethoxy)benzoateBenzoic acid, 4-(phenylmethoxy)-, ethyl esterDTXSID70204997RefChem:595333DTXCID00127488Ethyl 4-(benzyloxy)benzoateethyl 4-phenylmethoxybenzoateMFCD00174341Ethyl4-(benzyloxy)benzoateBrl 10894Maybridge1_006068SCHEMBL340618CHEMBL3278117HMS558L18ALBB-0139574-ethoxycarbonylphenoxyphenyl methane4-Benzyloxy-benzoic acid ethyl ester

REACTIONS

相关反应

24 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07083832B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07083832B2

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

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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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uspto-grants-1978_07 · 10.6084/m9.figshare.5104873.v1 · US04098816

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uspto-grants-1978_07 · 10.6084/m9.figshare.5104873.v1 · US04098816

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uspto-grants-1978_07 · 10.6084/m9.figshare.5104873.v1 · US04098816

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