Cas no 70377-72-9 (3-methyl-4,5-dihydro-1,2,3-oxadiazol-3-ium)
70377-72-9 structure
Product Name:3-methyl-4,5-dihydro-1,2,3-oxadiazol-3-ium
CAS No:70377-72-9
MF:C3H7N2O
MW:87.1004803180695
CID:1743136
PubChem ID:153250
Update Time:2025-04-21
3-methyl-4,5-dihydro-1,2,3-oxadiazol-3-ium Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-4,5-dihydro-1,2,3-oxadiazol-3-ium
- 3-methyl-4,5-dihydrooxadiazol-3-ium
- 1,2,3-Oxadiazolium, 4,5-dihydro-3-methyl-
- DTXSID90220639
- 3-Methyl-1,2,3-oxadiazolinium ion
- 70377-72-9
-
- Inchi： 1S/C3H7N2O/c1-5-2-3-6-4-5/h2-3H2,1H3/q+1
- InChI Key： JYLJGVJKVHKOPN-UHFFFAOYSA-N
- SMILES： O1CC[N+](C)=N1
Computed Properties
- Exact Mass: 87.05591
- Monoisotopic Mass: 87.055837851g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 78.9
- 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: 0.4
- Topological Polar Surface Area: 24.6?2
Experimental Properties
- PSA: 24.6
3-methyl-4,5-dihydro-1,2,3-oxadiazol-3-ium Related Literature
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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