Cas no 108963-75-3 (Decanenitrile, 2-hydroxy-, (2R)-)
108963-75-3 structure
Product Name:Decanenitrile, 2-hydroxy-, (2R)-
CAS No:108963-75-3
MF:C10H19NO
MW:169.263962984085
CID:1186524
PubChem ID:13866124
Update Time:2025-04-20
Decanenitrile, 2-hydroxy-, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- Decanenitrile, 2-hydroxy-, (2R)-
- 2-hydroxydecanenitrile
- DTXSID701310813
- 108963-75-3
- (2R)-2-Hydroxydecanenitrile
-
- Inchi： 1S/C10H19NO/c1-2-3-4-5-6-7-8-10(12)9-11/h10,12H,2-8H2,1H3/t10-/m1/s1
- InChI Key： PEZRXEBWVUSWAE-SNVBAGLBSA-N
- SMILES： O[C@@H](C#N)CCCCCCCC
Computed Properties
- Exact Mass: 169.146664230g/mol
- Monoisotopic Mass: 169.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 136
- 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
- XLogP3: 3.3
- Topological Polar Surface Area: 44?2
Experimental Properties
- PSA: 44.02000
- LogP: 2.62148
Decanenitrile, 2-hydroxy-, (2R)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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