HCID21263

3-Pentenoic acid

pent-3-enoic acid

C5H8O2100.12 g/molCAS 5204-64-8

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IDENTITY

结构与身份

标准 SMILES: CC=CCC(=O)O
InChIKey: UIUWNILCHFBLEQ-UHFFFAOYSA-N
分子式: C5H8O2
平均分子量: 100.12 g/mol
单同位素质量: 100.05242949

COMPUTED

结构计算性质

已同步

XLogP: 0.8
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 7
形式电荷: 0
复杂度: 84

GHS

GHS 分类

来源：PubChem

GHS Classification

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 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 Corr. 1B (100%)

ALIASES

名称与别名

共 13 条

DTXSID001316753RefChem:1068460DTXCID201333195628-465-03-Pentenoic acid5204-64-8pent-3-enoic acidSCHEMBL34657SCHEMBL308543SCHEMBL3106657SCHEMBL11807920D92067Q27117611

REACTIONS