Cas no 3483-17-8 (3-(3-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate)
3483-17-8 structure
Product Name:3-(3-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate
CAS No:3483-17-8
MF:C9H8N2O2
MW:176.172021865845
CID:1466202
PubChem ID:198874
Update Time:2025-04-20
3-(3-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate Chemical and Physical Properties
Names and Identifiers
-
- 3-(3-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate
- 3-(3-methylphenyl)oxadiazol-3-ium-5-olate
- SCHEMBL10903375
- 1,2,3-Oxadiazolium, 5-hydroxy-3-(3-methylphenyl)-, inner salt (9CI)
- 3-(3-Methylphenyl)sydnone
- 3483-17-8
- 3-(m-Tolyl)sydnone
- BRN 3672153
- DTXSID80188370
- 1,2,3-Oxadiazolium, 5-hydroxy-3-(3-methylphenyl)-, inner salt
- N-(m-Tolyl)-sydnon
- Sydnone, 3-(3-methylphenyl)-
- Sydnone, 3-m-tolyl-
- N-(m-Tolyl)-sydnon [German]
-
- Inchi: 1S/C9H8N2O2/c1-7-3-2-4-8(5-7)11-6-9(12)13-10-11/h2-6H,1H3
- InChI Key: ILLZWHORGXIGRG-UHFFFAOYSA-N
- SMILES: O1C(=C[N+](C2=CC=CC(C)=C2)=N1)[O-]
Computed Properties
- Exact Mass: 176.05864
- Monoisotopic Mass: 176.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 177
- 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: 3.2
- Topological Polar Surface Area: 53?2
Experimental Properties
- PSA: 52.97
3-(3-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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