alpha-Methyl-4-nitrocinnamic acid

HCID 235115CAS 949-98-4

基本情報

標準SMILES: CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O
InChIKey: AWWVCUPVXCDDHS-UHFFFAOYSA-N
分子式: C10H9NO4
平均分子量: 207.18 g/mol

名称と識別子

優先名称: alpha-Methyl-4-nitrocinnamic acid
IUPAC: 2-methyl-3-(4-nitrophenyl)prop-2-enoic acid

名称と別名

alpha-Methyl-4-nitrocinnamic acidRefChem:555844635-103-52-Methyl-3-(4-nitrophenyl)acrylic acidSCHEMBL52681AWWVCUPVXCDDHS-UHFFFAOYSA-NAKOS0175478623-(4-nitrophenyl)-2-methylacrylic acid

データベース識別子

CAS: 949-98-4
PubChem CID: 235115
EC Number: 635-103-5

物性

構造計算による物性

XLogP: 2.1
極性表面積: 83.1 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 284

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)