5-Phenyl-2,4-pentadienoic acid

HCID 73777CAS 1552-94-9

基本情報

標準SMILES: O=C(O)C=CC=Cc1ccccc1
InChIKey: FEIQOMCWGDNMHM-UHFFFAOYSA-N
分子式: C11H10O2
平均分子量: 174.2 g/mol
単同位体質量: 174.06807956

名称と識別子

優先名称: 5-Phenyl-2,4-pentadienoic acid
IUPAC: 5-phenylpenta-2,4-dienoic acid

名称と別名

2,4-Pentadienoic acid, 5-phenyl-DTXSID2061771RefChem:1073226DTXCID90349971552-94-95-Phenyl-2,4-pentadienoic acidstyrene-acrylic acidCinnamalacetic acidSpectrum_001920Spectrum2_000817Spectrum3_000712Spectrum4_001641

名称をさらに表示

NCIOpen2_000137SCHEMBL15119KBioGR_002101KBioSS_002462(2E,4E)-Cinnamalacetic acidSPBio_000713orb1304629SCHEMBL11688162

データベース識別子

CAS: 1552-94-9
PubChem CID: 73777
DTXSID: DTXSID2061771
EC Number: 216-298-2

物性

構造計算による物性

XLogP: 2.8
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: 3
重原子数: 13
形式電荷: 0
複雑度: 210

実験および物理化学的性質

LogP3.15

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.