Cas no 66421-25-8 (5-Isoxazolecarboxylic acid, 3,3'-(1,3-phenylene)bis-, diethyl ester)
66421-25-8 structure
Product Name:5-Isoxazolecarboxylic acid, 3,3'-(1,3-phenylene)bis-, diethyl ester
CAS No:66421-25-8
MF:C18H16N2O6
MW:356.329444885254
CID:388452
PubChem ID:21314970
Update Time:2025-04-19
5-Isoxazolecarboxylic acid, 3,3'-(1,3-phenylene)bis-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolecarboxylic acid, 3,3'-(1,3-phenylene)bis-, diethyl ester
- ethyl 3-[3-(5-ethoxycarbonyl-1,2-oxazol-3-yl)phenyl]-1,2-oxazole-5-carboxylate
- Diethyl 3,3'-(1,3-phenylene)di(1,2-oxazole-5-carboxylate)
- Diethyl 3,3'-(1,3-phenylene)bis(isoxazole-5-carboxylate)
- DTXSID10612239
- SCHEMBL11509779
- 66421-25-8
-
- Inchi： 1S/C18H16N2O6/c1-3-23-17(21)15-9-13(19-25-15)11-6-5-7-12(8-11)14-10-16(26-20-14)18(22)24-4-2/h5-10H,3-4H2,1-2H3
- InChI Key： VNGZNDBFSHDBRZ-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OCC)=CC(C2C=CC=C(C3C=C(C(=O)OCC)ON=3)C=2)=N1
Computed Properties
- Exact Mass: 356.10083623g/mol
- Monoisotopic Mass: 356.10083623g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 8
- Complexity: 460
- 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: 105?2
5-Isoxazolecarboxylic acid, 3,3'-(1,3-phenylene)bis-, diethyl ester Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
66421-25-8 (5-Isoxazolecarboxylic acid, 3,3'-(1,3-phenylene)bis-, diethyl ester) Related Products
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