Cas no 69843-83-0 (Cyclopentanecarbonitrile,3-(1-methylethyl)-2-oxo-)
69843-83-0 structure
Product Name:Cyclopentanecarbonitrile,3-(1-methylethyl)-2-oxo-
CAS No:69843-83-0
MF:C9H13NO
MW:151.205622434616
CID:500510
PubChem ID:12470090
Update Time:2025-04-19
Cyclopentanecarbonitrile,3-(1-methylethyl)-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarbonitrile,3-(1-methylethyl)-2-oxo-
- Cyclopentanecarbonitrile, 3-(1-methylethyl)-2-oxo- (9CI)
- Cyclopentanecarbonitrile,3-(1-methylethyl)-2-oxo-(9ci)
- 69843-83-0
-
- Inchi： 1S/C9H13NO/c1-6(2)8-4-3-7(5-10)9(8)11/h6-8H,3-4H2,1-2H3
- InChI Key： UERKFPQKWVXINK-UHFFFAOYSA-N
- SMILES： O=C1C(C#N)CCC1C(C)C
Computed Properties
- Exact Mass: 151.09979
- Monoisotopic Mass: 151.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 211
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
Cyclopentanecarbonitrile,3-(1-methylethyl)-2-oxo- Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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