Cas no 335421-55-1 (Cyclopentanecarbonitrile, 2-oxo-1-(3-oxopentyl)- (9CI))
335421-55-1 structure
Product Name:Cyclopentanecarbonitrile, 2-oxo-1-(3-oxopentyl)- (9CI)
CAS No:335421-55-1
MF:C11H15NO2
MW:193.242303133011
CID:918096
PubChem ID:45098739
Update Time:2025-04-19
Cyclopentanecarbonitrile, 2-oxo-1-(3-oxopentyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarbonitrile, 2-oxo-1-(3-oxopentyl)- (9CI)
- DB-275493
- Cyclopentanecarbonitrile, 2-oxo-1-(3-oxopentyl)-
- 335421-55-1
-
- Inchi： 1S/C11H15NO2/c1-2-9(13)5-7-11(8-12)6-3-4-10(11)14/h2-7H2,1H3
- InChI Key： KKXBAOZTLNVRKD-UHFFFAOYSA-N
- SMILES： O=C1CCCC1(C#N)CCC(CC)=O
Computed Properties
- Exact Mass: 193.110278721g/mol
- Monoisotopic Mass: 193.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 300
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 57.9?2
Cyclopentanecarbonitrile, 2-oxo-1-(3-oxopentyl)- (9CI) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
335421-55-1 (Cyclopentanecarbonitrile, 2-oxo-1-(3-oxopentyl)- (9CI)) Related Products
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