Cas no 20600-69-5 (3-Cyclohexyl-1,2,3-oxadiazol-3-ium-5-olate)
20600-69-5 structure
Product Name:3-Cyclohexyl-1,2,3-oxadiazol-3-ium-5-olate
CAS No:20600-69-5
MF:C8H12N2O2
MW:168.193081855774
CID:910113
PubChem ID:209848
Update Time:2025-04-19
3-Cyclohexyl-1,2,3-oxadiazol-3-ium-5-olate Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexyl-1,2,3-oxadiazol-3-ium-5-olate
- 3-cyclohexyloxadiazol-3-ium-5-olate
- SCHEMBL10899397
- 3-Cyclohexylsydnone
- BRN 3670392
- Sydnone, 3-cyclohexyl-
- 20600-69-5
- DTXSID60174615
- DB-241025
-
- Inchi： 1S/C8H12N2O2/c11-8-6-10(9-12-8)7-4-2-1-3-5-7/h6-7H,1-5H2
- InChI Key： LBWGAPRXZZUQPR-UHFFFAOYSA-N
- SMILES： O1C(=C[N+](C2CCCCC2)=N1)[O-]
Computed Properties
- Exact Mass: 168.08996
- Monoisotopic Mass: 168.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 148
- 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: 2.9
- Topological Polar Surface Area: 53?2
Experimental Properties
- PSA: 52.97
3-Cyclohexyl-1,2,3-oxadiazol-3-ium-5-olate Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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5. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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