Cas no 51858-20-9 (3-prop-2-en-1-yl-1,2,3-oxadiazol-3-ium-5-olate)
51858-20-9 structure
Product Name:3-prop-2-en-1-yl-1,2,3-oxadiazol-3-ium-5-olate
CAS No:51858-20-9
MF:C5H6N2O2
MW:126.113340854645
CID:1574922
PubChem ID:3040234
Update Time:2025-04-21
3-prop-2-en-1-yl-1,2,3-oxadiazol-3-ium-5-olate Chemical and Physical Properties
Names and Identifiers
-
- 3-prop-2-en-1-yl-1,2,3-oxadiazol-3-ium-5-olate
- 3-prop-2-enyloxadiazol-3-ium-5-olate
- 3-Allylsydnone
- Sydnone, 3-(2-propenyl)-
- 51858-20-9
- DTXSID80199820
- Sydnone, 3-allyl-
- BRN 3949579
- SCHEMBL10903329
-
- Inchi： 1S/C5H6N2O2/c1-2-3-7-4-5(8)9-6-7/h2,4H,1,3H2
- InChI Key： VTWPPXBNMVBRCH-UHFFFAOYSA-N
- SMILES： O1C(=C[N+](CC=C)=N1)[O-]
Computed Properties
- Exact Mass: 126.04298
- Monoisotopic Mass: 126.042927438g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 107
- 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: 1.9
- Topological Polar Surface Area: 53?2
Experimental Properties
- PSA: 52.97
3-prop-2-en-1-yl-1,2,3-oxadiazol-3-ium-5-olate Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
51858-20-9 (3-prop-2-en-1-yl-1,2,3-oxadiazol-3-ium-5-olate) Related Products
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