Cas no 75279-86-6 (2-Acetyl-3-oxo-3-phenylpropanenitrile)
75279-86-6 structure
Product Name:2-Acetyl-3-oxo-3-phenylpropanenitrile
CAS No:75279-86-6
MF:C11H9NO2
MW:187.194662809372
CID:539822
Update Time:2023-08-03
2-Acetyl-3-oxo-3-phenylpropanenitrile Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanenitrile, a-acetyl-b-oxo-
- 2-acetyl-3-oxo-3-phenylpropanenitrile
- 1-Phenyl-2-cyanobutane-1,3-dione
- 2-Acetyl-3-oxo-3-phenylpropanenitrile
-
- Inchi： 1S/C11H9NO2/c1-8(13)10(7-12)11(14)9-5-3-2-4-6-9/h2-6,10H,1H3
- InChI Key： LSKVDYCHNRWKFI-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C(C#N)C(C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 281
- Topological Polar Surface Area: 57.9
2-Acetyl-3-oxo-3-phenylpropanenitrile Related Literature
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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Attila N. Lázár,Derek Clarke,Helen Adams,Abdur Razzaque Akanda,Sylvia Szabo,Robert J. Nicholls,Zoe Matthews,Dilruba Begum,Abul Fazal M. Saleh,Md. Anwarul Abedin,Andres Payo,Peter Kim Streatfield,Craig Hutton,M. Shahjahan Mondal,Abu Zofar Md. Moslehuddin Environ. Sci.: Processes Impacts, 2015,17, 1018-1031
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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