Cas no 17590-38-4 ((E)-(3-methyl-1,2,3-oxadiazol-3-ium-5-yl)diazenolate)
17590-38-4 structure
Product Name:(E)-(3-methyl-1,2,3-oxadiazol-3-ium-5-yl)diazenolate
CAS No:17590-38-4
MF:C3H4N4O2
MW:128.08945941925
CID:1362406
PubChem ID:5491368
Update Time:2025-04-20
(E)-(3-methyl-1,2,3-oxadiazol-3-ium-5-yl)diazenolate Chemical and Physical Properties
Names and Identifiers
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- (E)-(3-methyl-1,2,3-oxadiazol-3-ium-5-yl)diazenolate
- (E)-(3-methyloxadiazol-3-ium-5-yl)-oxidodiazene
- 3-methylsydnone-5-nitrosimine
- 17590-38-4
- RE 2047
- 1,2,3-Oxadiazolium, 3-methyl-5-(nitrosoamino)-, inner salt
- RE-2047
- Sydnone imine, 3-methyl-N-nitroso-
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- Inchi: 1S/C3H4N4O2/c1-7-2-3(4-5-8)9-6-7/h2H,1H3
- InChI Key: CIHUZTVAYJCQCK-UHFFFAOYSA-N
- SMILES: O1C(=C[N+](C)=N1)/N=N/[O-]
Computed Properties
- Exact Mass: 128.03352
- Monoisotopic Mass: 128.033425
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.7
- XLogP3: 0.5
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 77.69
(E)-(3-methyl-1,2,3-oxadiazol-3-ium-5-yl)diazenolate Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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