Cas no 63698-54-4 (1,3,4-Oxadiazol-2(3H)-one,5-(4-ethoxy-3,5-dimethoxyphenyl)-)
63698-54-4 structure
Product Name:1,3,4-Oxadiazol-2(3H)-one,5-(4-ethoxy-3,5-dimethoxyphenyl)-
CAS No:63698-54-4
MF:C12H14N2O5
MW:266.249963283539
CID:519786
PubChem ID:330217
Update Time:2025-04-19
1,3,4-Oxadiazol-2(3H)-one,5-(4-ethoxy-3,5-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,4-Oxadiazol-2(3H)-one,5-(4-ethoxy-3,5-dimethoxyphenyl)-
- 5-(4-ethoxy-3,5-dimethoxyphenyl)-3H-1,3,4-oxadiazol-2-one
- AC1L76EV
- NSC317285
- NSC-317285
-
- Inchi： 1S/C12H14N2O5/c1-4-18-10-8(16-2)5-7(6-9(10)17-3)11-13-14-12(15)19-11/h5-6H,4H2,1-3H3,(H,14,15)
- InChI Key： YDKNUBPLWLNUHK-UHFFFAOYSA-N
- SMILES： O(CC)C1C(=CC(C2=NNC(=O)O2)=CC=1OC)OC
Computed Properties
- Exact Mass: 266.09032
- Monoisotopic Mass: 266.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 346
- 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: 1.7
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- Density: 1.33
- Refractive Index: 1.564
- PSA: 78.38
- LogP: 1.85810
1,3,4-Oxadiazol-2(3H)-one,5-(4-ethoxy-3,5-dimethoxyphenyl)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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