Cas no 22267-96-5 (Propanenitrile, 2-(2,3-dihydro-1H-inden-1-ylidene)-, (2Z)-)
22267-96-5 structure
Product Name:Propanenitrile, 2-(2,3-dihydro-1H-inden-1-ylidene)-, (2Z)-
CAS No:22267-96-5
MF:C12H11N
MW:169.222442865372
CID:1408199
PubChem ID:71446902
Update Time:2025-04-20
Propanenitrile, 2-(2,3-dihydro-1H-inden-1-ylidene)-, (2Z)- Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile, 2-(2,3-dihydro-1H-inden-1-ylidene)-, (2Z)-
- 2-(2,3-dihydroinden-1-ylidene)propanenitrile
- 22267-96-5
- 2-(2,3-Dihydro-1H-inden-1-ylidene)propanenitrile
- DTXSID70855261
-
- Inchi： 1S/C12H11N/c1-9(8-13)11-7-6-10-4-2-3-5-12(10)11/h2-5H,6-7H2,1H3
- InChI Key： QYLVVDQCUUIVOW-UHFFFAOYSA-N
- SMILES： N#CC(C)=C1C2C=CC=CC=2CC1
Computed Properties
- Exact Mass: 169.08923
- Monoisotopic Mass: 169.089149355g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 279
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.4
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
Propanenitrile, 2-(2,3-dihydro-1H-inden-1-ylidene)-, (2Z)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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