Cas no 19310-87-3 (4-(2,2-dicyanoethenyl)phenyl acetate)
19310-87-3 structure
Product Name:4-(2,2-dicyanoethenyl)phenyl acetate
CAS No:19310-87-3
MF:C12H8N2O2
MW:212.204122543335
CID:908004
PubChem ID:223271
Update Time:2025-04-19
4-(2,2-dicyanoethenyl)phenyl acetate Chemical and Physical Properties
Names and Identifiers
-
- 4-(2,2-dicyanoethenyl)phenyl acetate
- [4-(2,2-dicyanoethenyl)phenyl] acetate
- (4-Acetoxy-benzyliden)-malononitril
- (4-acetoxy-benzylidene)-malononitrile
- 4-(2,2-dicyanovinyl)phenyl acetate
- AC1L5CFM
- AC1Q611Z
- AR-1F5680
- CTK4E1165
- NSC10746
- NSC-10746
- propanedinitrile, [[4-(acetyloxy)phenyl]methylene]-
- InChI=1/C12H8N2O2/c1-9(15)16-12-4-2-10(3-5-12)6-11(7-13)8-14/h2-6H,1H
- DTXSID60278945
- SCHEMBL9589163
- 19310-87-3
- AKOS003029969
-
- Inchi： 1S/C12H8N2O2/c1-9(15)16-12-4-2-10(3-5-12)6-11(7-13)8-14/h2-6H,1H3
- InChI Key： YFUZLOBPZJYAHQ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=CC(/C=C(\C#N)/C#N)=CC=1
Computed Properties
- Exact Mass: 212.05864
- Monoisotopic Mass: 212.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 368
- 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: 1.8
- Topological Polar Surface Area: 73.9?2
Experimental Properties
- PSA: 73.88
- LogP: 2.04246
4-(2,2-dicyanoethenyl)phenyl acetate Related Literature
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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