2-Cyano-4-methylpent-2-enoic acid

HCID 292547CAS 760-58-7

基本情報

標準SMILES: CC(C)C=C(C#N)C(=O)O
InChIKey: JYFREZOLRUHBAQ-UHFFFAOYSA-N
分子式: C7H9NO2
平均分子量: 139.15 g/mol

名称と識別子

優先名称: 2-Cyano-4-methylpent-2-enoic acid
IUPAC: 2-cyano-4-methylpent-2-enoic acid

名称と別名

RefChem:470646829-988-92-Cyano-4-methylpent-2-enoic acid2-cyano-4-methyl-2-pentenoic acid2-cyano-4-methyl-pent-2-enoic acid2-Pentenoic acid,2-cyano-4-methyl-2-Pentenoic acid, 2-cyano-4-methyl-SCHEMBL15441JYFREZOLRUHBAQ-UHFFFAOYSA-N2-cyano4-methyl-2-pentenoic acidAAA76058AKOS017469651

名称をさらに表示

DB-164275

データベース識別子

CAS: 760-58-7
PubChem CID: 292547
EC Number: 829-988-9

物性

構造計算による物性

XLogP: 1.3
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: 10
形式電荷: 0
複雑度: 207

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

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.