Cas no 110327-44-1 (2-inden-2-ylidenepropanedinitrile)
110327-44-1 structure
Product Name:2-inden-2-ylidenepropanedinitrile
CAS No:110327-44-1
MF:C12H6N2
MW:178.189442157745
CID:1193906
PubChem ID:13739856
Update Time:2025-04-20
2-inden-2-ylidenepropanedinitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-inden-2-ylidenepropanedinitrile
- (2H-Inden-2-ylidene)propanedinitrile
- DTXSID10548105
- SCHEMBL12172674
- 110327-44-1
-
- Inchi： 1S/C12H6N2/c13-7-12(8-14)11-5-9-3-1-2-4-10(9)6-11/h1-6H
- InChI Key： KAIQIBAYEQHTMQ-UHFFFAOYSA-N
- SMILES： N#C/C(/C#N)=C1/C=C2C=CC=CC2=C/1
Computed Properties
- Exact Mass: 178.05318
- Monoisotopic Mass: 178.053098200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 485
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.58
2-inden-2-ylidenepropanedinitrile Related Literature
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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