Cas no 3483-19-0 ( )
structure
Product Name:
CAS No:3483-19-0
MF:C9H8N2O2
MW:176.172021865845
CID:919562
PubChem ID:198878
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-methylphenyl)oxadiazol-3-ium-5-olate
- 3-(4-methylphenyl)sydnone
- 3-(4-tolyl)sydnone
- 3-(p-Tolyl)sydnone
- 3-p-tolylsydnone
- 3-p-tolyl-sydnone
- BRN 3672154
- N-(4-methylphenyl)sydnone
- N-(p-Tolyl)-sydnon [German]
- NSC35761
- N-tolyl-sydnone
- Sydnone, 3-(4-methylphenyl)-
- Sydnone, 3-p-tolyl-
- Sydrone, 3-p-tolyl-
- N-(p-Tolyl)-sydnon
- 3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate
- DTXSID00188372
- SCHEMBL10903378
- NSC-35761
- 1,2,3-Oxadiazolium, 5-hydroxy-3-(4-methylphenyl)-, inner salt (9CI)
- CHEMBL1985793
- NSC 35761
- N-p-Tolylsydnon
- 1,2,3-Oxadiazolium, 5-hydroxy-3-(4-methylphenyl)-, inner salt
- 3483-19-0
-
-
- Inchi: 1S/C9H8N2O2/c1-7-2-4-8(5-3-7)11-6-9(12)13-10-11/h2-6H,1H3
- InChI Key: XIIZHMNSBLVHKS-UHFFFAOYSA-N
- SMILES: O1C(=C[N+](C2C=CC(C)=CC=2)=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: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 169
- 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
- LogP: 1.40350
Related Literature
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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