1-(1,3-dioxolan-2-ylidene)-1H-indene-3-carbonitrile

HCID 9834320CAS 474024-38-9

基本情報

標準SMILES: N#CC1=CC(=C2OCCO2)c2ccccc21
InChIKey: LOFHCHIYFDFUNK-UHFFFAOYSA-N
分子式: C13H9NO2
平均分子量: 211.22 g/mol
単同位体質量: 211.06332853

名称と識別子

優先名称: 1-(1,3-dioxolan-2-ylidene)-1H-indene-3-carbonitrile
IUPAC: 3-(1,3-dioxolan-2-ylidene)indene-1-carbonitrile
英語名: 3-(1,3-Dioxolan-2-ylidene)-3H-indene-1-carbonitrile
分子式: C13H9NO2
分子量: 211.22

名称と別名

474024-38-91-(1,3-dioxolan-2-ylidene)-1H-indene-3-carbonitrileRefChem:419393610-344-93-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile3-(1,3-DIOXOLAN-2-YLIDENE)-3H-INDENE-1-CARBONITRILESCHEMBL4960379DTXSID10431467LOFHCHIYFDFUNK-UHFFFAOYSA-NAKOS0159662551H-Indene-3-carbonitrile, 1-(1,3-dioxolan-2-ylidene)-

データベース識別子

CAS: 474024-38-9
PubChem CID: 9834320
DTXSID: DTXSID10431467
EC Number: 610-344-9
Nikkaji: J2.572.739H

物性

構造計算による物性

XLogP: 1.8
極性表面積: 42.3 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 16
形式電荷: 0
複雑度: 405

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.

Not Classified

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24269

Hazard Classes and CategoriesNot Classified

化学と産業

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