Cas no 10021-63-3 (Pentanenitrile,2-hydroxy-, (2R)-)
10021-63-3 structure
Product Name:Pentanenitrile,2-hydroxy-, (2R)-
CAS No:10021-63-3
MF:C5H9NO
MW:99.1310613155365
CID:177229
PubChem ID:11412348
Update Time:2025-04-19
Pentanenitrile,2-hydroxy-, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanenitrile,2-hydroxy-, (2R)-
- (R)-(+)-2-hydroxypentanenitrile
- (R)-2-Hydroxypentanenitrile
- Pentanenitrile,2-hydroxy-, (R)-
- Valeronitrile, 2-hydroxy-, D-(+)- (8CI)
- 10021-63-3
- AKOS006308639
- (2r)-2-hydroxypentanenitrile
-
- Inchi： 1S/C5H9NO/c1-2-3-5(7)4-6/h5,7H,2-3H2,1H3/t5-/m1/s1
- InChI Key： AANFRDGJHYLLAE-RXMQYKEDSA-N
- SMILES： O[C@@H](C#N)CCC
Computed Properties
- Exact Mass: 99.068414g/mol
- Monoisotopic Mass: 99.068414g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 81.3
- 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
- Molecular Weight: 99.13g/mol
- XLogP3: 0.6
- Topological Polar Surface Area: 44?2
Pentanenitrile,2-hydroxy-, (2R)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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