3-(3-Pyridinyl)-2-propenoic acid

HCID 101984CAS 1126-74-5

基本情報

標準SMILES: O=C(O)C=Cc1cccnc1
InChIKey: VUVORVXMOLQFMO-UHFFFAOYSA-N
分子式: C8H7NO2
平均分子量: 149.15 g/mol
単同位体質量: 149.04767846

名称と識別子

優先名称: 3-(3-Pyridinyl)-2-propenoic acid
IUPAC: 3-pyridin-3-ylprop-2-enoic acid

名称と別名

RefChem:4922073-(3-Pyridinyl)-2-propenoic acid1126-74-53-(3-Pyridyl)acrylic acid3-(3-pyridinyl)acrylic acidTrans-3-(3'-Pyridyl)acrylic acid2-Propenoic acid, 3-(3-pyridinyl)-3-pyridin-3-ylacrylic acid3-(3-pyridyl)prop-2-enoic acid3-(3-Pyridyl)propenoic acid3-pyridine-acrylic acid3-(3-pyridyl) acrylic acid

名称をさらに表示

3-(3-pyridyl)-acrylic acidbeta-(3-Pyridyl)acrylic acidSCHEMBL334615SCHEMBL8584237SCHEMBL103200793-(pyridin-3-yl)propenoic acidDTXSID30862557VUVORVXMOLQFMO-UHFFFAOYSA-N

データベース識別子

CAS: 1126-74-5
PubChem CID: 101984
DTXSID: DTXSID30862557
EC Number: 214-424-0

物性

構造計算による物性

XLogP: 0.8
極性表面積: 50.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 165

実験および物理化学的性質

PolymersPlastics & Rubber -> (Meth)acrylates

Physical DescriptionWhite to beige crystalline powder; [Acros Organics MSDS]

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.