Cas no 3483-18-9 (3-(2-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate)
3483-18-9 structure
Product Name:3-(2-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate
CAS No:3483-18-9
MF:C9H8N2O2
MW:176.172021865845
CID:1466627
PubChem ID:198876
Update Time:2025-04-20
3-(2-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate Chemical and Physical Properties
Names and Identifiers
-
- 3-(2-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate
- 3-(2-methylphenyl)oxadiazol-3-ium-5-olate
- 1,2,3-Oxadiazolium, 5-hydroxy-3-(2-methylphenyl)-, inner salt (9CI)
- Sydnone, 3-o-tolyl-
- 3-(o-Tolyl)sydnone
- 3483-18-9
- 1,2,3-Oxadiazolium, 5-hydroxy-3-(2-methylphenyl)-, inner salt
- N-(o-Tolyl)-sydnon
- N-tolylsydnon
- 3-(2-Methylphenyl)sydnone
- BRN 3672322
- AKOS024327453
- DTXSID40188371
- Sydnone, 3-(2-methylphenyl)-
-
- Inchi： 1S/C9H8N2O2/c1-7-4-2-3-5-8(7)11-6-9(12)13-10-11/h2-6H,1H3
- InChI Key： BPBGWPOHEYHTJC-UHFFFAOYSA-N
- SMILES： O1C(=C[N+](C2C=CC=CC=2C)=N1)[O-]
Computed Properties
- Exact Mass: 176.05864
- Monoisotopic Mass: 176.058578
- 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
- Topological Polar Surface Area: 53
- XLogP3: 3.2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 52.97
3-(2-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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