HCID58772865

2-(2-Ethynylphenyl)acetic acid

C10H8O2160.17 g/molCAS 936693-17-3

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IDENTITY

结构与身份

标准SMILES: C#Cc1ccccc1CC(=O)O
InChIKey: FSBGQUFYQODLLW-UHFFFAOYSA-N
分子式: C10H8O2
平均分子量: 160.17 g/mol
单同位素质量: 160.05242949

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 211

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 17 条

2-(2-ethynylphenyl)acetic acid936693-17-3RefChem:453815990-575-22-Ethynylphenylacetic Acid2-(2-ethynylphenyl)aceticacidSCHEMBL3618428FSBGQUFYQODLLW-UHFFFAOYSA-NLMB69317MFCD20657581AKOS040815737SY272887CS-0432068EN300-214056G73212F762442F2167-5100

REACTIONS

参与反应

1 条

uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07790729B2

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