Cas no 27389-83-9 (Propanedinitrile,2-[[4-(phenylmethoxy)phenyl]methylene]-)
![Propanedinitrile,2-[[4-(phenylmethoxy)phenyl]methylene]- structure](https://ossimg.kuujia.com/scimg/27500/27389-83-9x500.png)
27389-83-9 structure
Product Name:Propanedinitrile,2-[[4-(phenylmethoxy)phenyl]methylene]-
CAS No:27389-83-9
MF:C17H12N2O
MW:260.28998374939
CID:262593
PubChem ID:33804
Update Time:2025-04-19
Propanedinitrile,2-[[4-(phenylmethoxy)phenyl]methylene]- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile,2-[[4-(phenylmethoxy)phenyl]methylene]-
- 2-[(4-phenylmethoxyphenyl)methylidene]propanedinitrile
- [4-(Benzyloxy)benzylidene]malononitrile
- 2-[4-(benzyloxy)benzylidene]malononitrile
- 27389-83-9
- 2-(4-benzyloxybenzylidene)-malononitrile
- p-Benzyloxybenzylidenemalononitrile
- SCHEMBL8167160
- DTXSID10181814
- MALONONITRILE, (p-(BENZYLOXY)BENZYLIDENE)-
- Z26177990
- BRN 2125672
- AKOS001111839
- Oprea1_160279
- 2-(4-BENZYLOXY-BENZYLIDENE)-MALONONITRILE
- GBQGNEMSQIQFRK-UHFFFAOYSA-N
- Oprea1_046290
-
- Inchi： 1S/C17H12N2O/c18-11-16(12-19)10-14-6-8-17(9-7-14)20-13-15-4-2-1-3-5-15/h1-10H,13H2
- InChI Key： GBQGNEMSQIQFRK-UHFFFAOYSA-N
- SMILES： O(C1C=CC(/C=C(\C#N)/C#N)=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 260.09506
- Monoisotopic Mass: 260.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 404
- 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: 3.3
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 56.81
Propanedinitrile,2-[[4-(phenylmethoxy)phenyl]methylene]- Related Literature
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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