Cas no 374905-59-6 (4-Isobenzofurancarbonitrile, 1,3-dihydro-5,7-dimethyl-1-oxo-)
374905-59-6 structure
Product Name:4-Isobenzofurancarbonitrile, 1,3-dihydro-5,7-dimethyl-1-oxo-
CAS No:374905-59-6
MF:C11H9NO2
MW:187.194662809372
CID:1484454
Update Time:2024-08-24
4-Isobenzofurancarbonitrile, 1,3-dihydro-5,7-dimethyl-1-oxo- Chemical and Physical Properties
Names and Identifiers
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- 4-Isobenzofurancarbonitrile, 1,3-dihydro-5,7-dimethyl-1-oxo-
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- Inchi: 1S/C11H9NO2/c1-6-3-7(2)10-9(8(6)4-12)5-14-11(10)13/h3H,5H2,1-2H3
- InChI Key: FVKVEIJFBFVMFT-UHFFFAOYSA-N
- SMILES: C1(=O)C2=C(C(C#N)=C(C)C=C2C)CO1
Computed Properties
- Exact Mass: 187.06337
Experimental Properties
- Density: 1.25±0.1 g/cm3(Predicted)
- Boiling Point: 439.5±45.0 °C(Predicted)
- PSA: 50.09
4-Isobenzofurancarbonitrile, 1,3-dihydro-5,7-dimethyl-1-oxo- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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