(2Z)-3-(2-cyanophenyl)prop-2-enoic acid

HCID 1899166CAS 27510-48-1

基本情報

標準SMILES: N#Cc1ccccc1/C=C\C(=O)O
InChIKey: HQVOPXGNHGTKOD-WAYWQWQTSA-N
分子式: C10H7NO2
平均分子量: 173.17 g/mol
単同位体質量: 173.04767847

名称と識別子

優先名称: (2Z)-3-(2-cyanophenyl)prop-2-enoic acid
IUPAC: (Z)-3-(2-cyanophenyl)prop-2-enoic acid

名称と別名

(2Z)-3-(2-CYANOPHENYL)PROP-2-ENOIC ACIDRefChem:399140999-895-7(Z)-3-(2-cyanophenyl)prop-2-enoic acid(Z)-3-(2-Cyanophenyl)acrylic acidcis-o-cyanocinnamic acidSCHEMBL448705HQVOPXGNHGTKOD-WAYWQWQTSA-NEN300-304572G34173(2Z)-3-(2-CYANOPHENYL)PROP-2-ENOICACID

データベース識別子

CAS: 27510-48-1
PubChem CID: 1899166
EC Number: 999-895-7

物性

構造計算による物性

XLogP: 1.6
極性表面積: 61.1 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: 13
形式電荷: 0
複雑度: 261

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.