Cas no 37681-06-4 (3-Benzofuranacetonitrile, 2-(1-methylethyl)-)
37681-06-4 structure
Product Name:3-Benzofuranacetonitrile, 2-(1-methylethyl)-
CAS No:37681-06-4
MF:C13H13NO
MW:199.248423337936
CID:1485363
Update Time:2024-08-24
3-Benzofuranacetonitrile, 2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Benzofuranacetonitrile, 2-(1-methylethyl)-
-
- Inchi： 1S/C13H13NO/c1-9(2)13-11(7-8-14)10-5-3-4-6-12(10)15-13/h3-6,9H,7H2,1-2H3
- InChI Key： IIQMJCRCKQZWLR-UHFFFAOYSA-N
- SMILES： O1C2=CC=CC=C2C(CC#N)=C1C(C)C
Computed Properties
- Exact Mass: 201.11545
Experimental Properties
- Density: 1.091±0.06 g/cm3(Predicted)
- Boiling Point: 311.9±27.0 °C(Predicted)
- PSA: 33.02
3-Benzofuranacetonitrile, 2-(1-methylethyl)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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