Cas no 30021-37-5 (1,2,3-Oxadiazolium,3-hexyl-5-hydroxy-, inner salt)
30021-37-5 structure
Product Name:1,2,3-Oxadiazolium,3-hexyl-5-hydroxy-, inner salt
CAS No:30021-37-5
MF:C8H14N2O2
MW:170.208961963654
CID:308787
PubChem ID:207424
Update Time:2025-04-19
1,2,3-Oxadiazolium,3-hexyl-5-hydroxy-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Oxadiazolium,3-hexyl-5-hydroxy-, inner salt
- 3-hexyloxadiazol-3-ium-5-olate
- DTXSID60184097
- SCHEMBL10902690
- BRN 3667322
- Sydnone, 3-hexyl-
- AKOS006277348
- 3-Hexylsydnone
- Sydnone,3-hexyl-
- 30021-37-5
-
- Inchi： 1S/C8H14N2O2/c1-2-3-4-5-6-10-7-8(11)12-9-10/h7H,2-6H2,1H3
- InChI Key： USGVAFGQQJXFPV-UHFFFAOYSA-N
- SMILES： O1C(=C[N+](CCCCCC)=N1)[O-]
Computed Properties
- Exact Mass: 170.10562
- Monoisotopic Mass: 170.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 122
- 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: 3.4
- Topological Polar Surface Area: 53?2
Experimental Properties
- PSA: 52.97
1,2,3-Oxadiazolium,3-hexyl-5-hydroxy-, inner salt Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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