Cas no 479411-64-8 (2-Pyrrolidineacetonitrile,1-methyl-5-oxo-,(2R)-(9CI))
479411-64-8 structure
Product Name:2-Pyrrolidineacetonitrile,1-methyl-5-oxo-,(2R)-(9CI)
CAS No:479411-64-8
MF:C7H10N2O
MW:138.167101383209
CID:931618
Update Time:2023-03-27
2-Pyrrolidineacetonitrile,1-methyl-5-oxo-,(2R)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Pyrrolidineacetonitrile,1-methyl-5-oxo-,(2R)-(9CI)
- 2-Pyrrolidineacetonitrile, 1-methyl-5-oxo-, (2R)-
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- Inchi： 1S/C7H10N2O/c1-9-6(4-5-8)2-3-7(9)10/h6H,2-4H2,1H3/t6-/m1/s1
- InChI Key： VJGSFXCVHZSKIW-ZCFIWIBFSA-N
- SMILES： N1(C)C(=O)CC[C@@H]1CC#N
Computed Properties
- Exact Mass: 138.079
- Monoisotopic Mass: 138.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 191
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 44.1A^2
2-Pyrrolidineacetonitrile,1-methyl-5-oxo-,(2R)-(9CI) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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