Cas no 6939-15-7 (3-propyl-1,2,3-oxadiazol-3-ium-5-olate)
6939-15-7 structure
Product Name:3-propyl-1,2,3-oxadiazol-3-ium-5-olate
CAS No:6939-15-7
MF:C5H8N2O2
MW:128.129220962524
CID:1736291
PubChem ID:201822
Update Time:2025-04-21
3-propyl-1,2,3-oxadiazol-3-ium-5-olate Chemical and Physical Properties
Names and Identifiers
-
- 3-propyl-1,2,3-oxadiazol-3-ium-5-olate
- 3-propyloxadiazol-3-ium-5-olate
- 3-Propylsydnone
- DTXSID10219500
- SCHEMBL1436165
- 6939-15-7
- BRN 3606330
- NSC 56783
- Sydnone, 3-propyl-
- NSC56783
- NSC-56783
-
- Inchi： 1S/C5H8N2O2/c1-2-3-7-4-5(8)9-6-7/h4H,2-3H2,1H3
- InChI Key： XAZYOVBOFGJZAL-UHFFFAOYSA-N
- SMILES： O1C(=C[N+](CCC)=N1)[O-]
Computed Properties
- Exact Mass: 128.05864
- Monoisotopic Mass: 128.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 89
- 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
- Topological Polar Surface Area: 53?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 52.97
3-propyl-1,2,3-oxadiazol-3-ium-5-olate Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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