Cas no 61638-11-7 (2-Butenedinitrile, 2-phenyl-, (E)-)
61638-11-7 structure
Product Name:2-Butenedinitrile, 2-phenyl-, (E)-
CAS No:61638-11-7
MF:C10H6N2
MW:154.168041706085
CID:471853
PubChem ID:54111643
Update Time:2025-04-19
2-Butenedinitrile, 2-phenyl-, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedinitrile, 2-phenyl-, (E)-
- 2-phenylbut-2-enedinitrile
- 61638-11-7
- phenyldicyanoethylene
- SCHEMBL3977494
- DTXSID80709105
-
- Inchi： 1S/C10H6N2/c11-7-6-10(8-12)9-4-2-1-3-5-9/h1-6H
- InChI Key： NHNSFSHXXANGNG-UHFFFAOYSA-N
- SMILES： N#CC(=CC#N)C1C=CC=CC=1
Computed Properties
- Exact Mass: 154.05318
- Monoisotopic Mass: 154.053098200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 265
- 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: 1.6
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.58
2-Butenedinitrile, 2-phenyl-, (E)- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
61638-11-7 (2-Butenedinitrile, 2-phenyl-, (E)-) Related Products
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