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

HCID 101984CAS 1126-74-5

기본 정보

표준 SMILES: O=C(O)C=Cc1cccnc1
InChIKey: VUVORVXMOLQFMO-UHFFFAOYSA-N
분자식: C8H7NO2
평균 분자량: 149.15 g/mol
단동위원소 질량: 149.04767846

이름 및 식별자

우선 이름: 3-(3-Pyridinyl)-2-propenoic acid
IUPAC: 3-pyridin-3-ylprop-2-enoic acid

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 165

실험 및 물리화학적 성질

PolymersPlastics & Rubber -> (Meth)acrylates

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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.