3-Pentenoic acid

HCID 21263CAS 5204-64-8

基本情報

標準SMILES: CC=CCC(=O)O
InChIKey: UIUWNILCHFBLEQ-UHFFFAOYSA-N
分子式: C5H8O2
平均分子量: 100.12 g/mol
単同位体質量: 100.05242949

名称と識別子

優先名称: 3-Pentenoic acid
IUPAC: pent-3-enoic acid

名称と別名

DTXSID001316753RefChem:1068460DTXCID201333195628-465-03-Pentenoic acid5204-64-8pent-3-enoic acidSCHEMBL34657SCHEMBL308543SCHEMBL3106657SCHEMBL11807920D92067

名称をさらに表示

Q27117611

データベース識別子

CAS: 5204-64-8
PubChem CID: 21263
DTXSID: DTXSID001316753
EC Number: 628-465-0

物性

構造計算による物性

XLogP: 0.8
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 84

安全と法規制

GHS分類

GHS Classification · 5 件

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.