Cas no 109831-64-3 (Isoxazole,5-cyclohexyl-)
Isoxazole,5-cyclohexyl- structure
Product Name:Isoxazole,5-cyclohexyl-
CAS No:109831-64-3
MF:C9H13NO
MW:151.205622434616
CID:128563
PubChem ID:13805327
Update Time:2025-04-18
Isoxazole,5-cyclohexyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,5-cyclohexyl-
- Isoxazole, 5-cyclohexyl- (9CI)
- AKOS013569420
- Isoxazole,5-cyclohexyl-(9ci)
- 109831-64-3
- 5-CYCLOHEXYL-1,2-OXAZOLE
- SCHEMBL23268869
- 5-Cyclohexylisoxazole
-
- Inchi： 1S/C9H13NO/c1-2-4-8(5-3-1)9-6-7-10-11-9/h6-8H,1-5H2
- InChI Key： CZYGREPZDBWONZ-UHFFFAOYSA-N
- SMILES： O1C(=CC=N1)C1CCCCC1
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: 121
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole,5-cyclohexyl- Related Literature
-
Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
-
Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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