Cas no 41808-43-9 ((1-Hydroxybutylidene)propanedinitrile)
41808-43-9 structure
Product Name:(1-Hydroxybutylidene)propanedinitrile
CAS No:41808-43-9
MF:C7H8N2O
MW:136.15122127533
CID:2137482
Update Time:2023-08-04
(1-Hydroxybutylidene)propanedinitrile Chemical and Physical Properties
Names and Identifiers
-
- (1-hydroxybutylidene)propanedinitrile
- 2-(1-Hydroxy-butylidene)-malononitrile
- (1-Hydroxybutylidene)propanedinitrile
-
- Inchi： 1S/C7H8N2O/c1-2-3-7(10)6(4-8)5-9/h10H,2-3H2,1H3
- InChI Key： JQNOTRRYTBGTRR-UHFFFAOYSA-N
- SMILES： O/C(=C(/C#N)\C#N)/CCC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 217
- Topological Polar Surface Area: 67.8
(1-Hydroxybutylidene)propanedinitrile Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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