Cas no 100007-62-3 ( )
structure
Product Name:
CAS No:100007-62-3
MF:C8H13NO
MW:139.194922208786
CID:892821
PubChem ID:10887989
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (2R)-2-cyclohexyl-2-hydroxyacetonitrile
- (R)-2-HYDROXY-2-CYCLOHEXYLACETONITRILE
- (+-)-Hydroxy-cyclohexyl-essigsaeure-nitril
- 2-cyclohexyl-2-hydroxyacetonitrile
- 2-cyclohexyl-2-hydroxy-acetonitrile
- 2-cyclohexyl-2-hydroxyethanenitrile
- cyclohexyl(hydroxy)acetonitrile
- cyclohexylhydroxyacetonitrile
- cyclohexyl-hydroxy-acetonitrile
- PubChem17482
-
-
- Inchi： 1S/C8H13NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-5H2/t8-/m0/s1
- InChI Key： JLNKJTJSIQKWEU-QMMMGPOBSA-N
- SMILES： O[C@@H](C#N)C1CCCCC1
Computed Properties
- Exact Mass: 139.09979
- Monoisotopic Mass: 139.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 141
- 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: 1.7
- Topological Polar Surface Area: 44?2
Experimental Properties
- PSA: 44.02
Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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