Cas no 6943-38-0 (1,2,3-Oxadiazolium,5-hydroxy-3-[(4-methylphenyl)methyl]-, inner salt)
![1,2,3-Oxadiazolium,5-hydroxy-3-[(4-methylphenyl)methyl]-, inner salt structure](https://ossimg.kuujia.com/scimg/7000/6943-38-0x500.png)
6943-38-0 structure
Product Name:1,2,3-Oxadiazolium,5-hydroxy-3-[(4-methylphenyl)methyl]-, inner salt
CAS No:6943-38-0
MF:C10H10N2O2
MW:190.198602199554
CID:520311
PubChem ID:20342749
Update Time:2025-04-19
1,2,3-Oxadiazolium,5-hydroxy-3-[(4-methylphenyl)methyl]-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Oxadiazolium,5-hydroxy-3-[(4-methylphenyl)methyl]-, inner salt
- 3-[(4-methylphenyl)methyl]oxadiazol-3-ium-5-olate
- 3-(4-Methyl-benzyl)-sydnon
- 3-(4-methyl-benzyl)-sydnone
- 3-< 4-Methyl-benzyl> -sydnon
- N-p-Methylbenzyl-sydnon
- NSC53409
- 3-[(4-Methylphenyl)methyl]-1,2,3-oxadiazol-3-ium-5-olate
- NSC-53409
- 6943-38-0
- SCHEMBL11426375
- DTXSID10605722
-
- Inchi： 1S/C10H10N2O2/c1-8-2-4-9(5-3-8)6-12-7-10(13)14-11-12/h2-5,7H,6H2,1H3
- InChI Key： HAWRTEWAPNDVMN-UHFFFAOYSA-N
- SMILES： O1C(=C[N+](CC2C=CC(C)=CC=2)=N1)[O-]
Computed Properties
- Exact Mass: 190.0743
- Monoisotopic Mass: 190.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 181
- 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: 53A^2
- XLogP3: 3.1
Experimental Properties
- PSA: 52.97
- LogP: 1.46260
1,2,3-Oxadiazolium,5-hydroxy-3-[(4-methylphenyl)methyl]-, inner salt Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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