2-Allyl-cyclohexane-1,3-dione

HCID 566005CAS 42738-68-1

基本情報

標準SMILES: C=CCC1C(=O)CCCC1=O
InChIKey: MRTQMTHMKFASNS-UHFFFAOYSA-N
分子式: C9H12O2
平均分子量: 152.19 g/mol
単同位体質量: 152.08372962

名称と識別子

優先名称: 2-Allyl-cyclohexane-1,3-dione
IUPAC: 2-prop-2-enylcyclohexane-1,3-dione
英語名: 2-Allylcyclohexane-1,3-dione
分子式: C9H12O2
分子量: 152.19

名称と別名

2-ALLYL-CYCLOHEXANE-1,3-DIONERefChem:462898684-424-72-Allyl-1,3-cyclohexanedione2-(prop-2-en-1-yl)cyclohexane-1,3-dione42738-68-12-ALLYLCYCLOHEXANE-1,3-DIONE2-allyl-1,3-cyclohexandioneSCHEMBL2594870DTXSID703406022-Allyl-1,3-cyclohexanedione #AKOS006272757

名称をさらに表示

1,3-Cyclohexanedione, 2-(2-propen-1-yl)-

HS-80671,3-Cyclohexanedione, 2-(2-propenyl)-

データベース識別子

CAS: 42738-68-1
PubChem CID: 566005
DTXSID: DTXSID70340602
EC Number: 684-424-7
Nikkaji: J2.022.813J

物性

構造計算による物性

XLogP: 1.1
極性表面積: 34.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 178

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, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.