基本信息
- 标准SMILES
N#CC1=CC(=C2OCCO2)c2ccccc21- InChIKey
LOFHCHIYFDFUNK-UHFFFAOYSA-N- 分子式
- C13H9NO2
- 平均分子量
- 211.22 g/mol
- 单同位素质量
- 211.06332853
名称与标识
- 首选名称
- 1-(1,3-dioxolan-2-ylidene)-1H-indene-3-carbonitrile
- IUPAC
- 3-(1,3-dioxolan-2-ylidene)indene-1-carbonitrile
- 英文名
- 3-(1,3-Dioxolan-2-ylidene)-3H-indene-1-carbonitrile
- 分子式
- C13H9NO2
- 分子量
- 211.22
名称与别名
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)-
数据库标识
- CAS
474024-38-9- PubChem CID
- 9834320
- DTXSID
DTXSID10431467- EC Number
- 610-344-9
- Nikkaji
- J2.572.739H
性质
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 42.3 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 405
安全与法规
GHS分类
GHS Classification
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.
危害信息
Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24269
Hazard Classes and CategoriesNot Classified
化学与工业
供应商1 家
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
相关反应
3 条
关联笔记
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