Cas no 89479-71-0 (4-Isoxazolecarboxaldehyde, 3,5-diphenyl-)
89479-71-0 structure
Product Name:4-Isoxazolecarboxaldehyde, 3,5-diphenyl-
CAS No:89479-71-0
MF:C16H11NO2
MW:249.264044046402
CID:599025
PubChem ID:13163439
Update Time:2025-04-19
4-Isoxazolecarboxaldehyde, 3,5-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxaldehyde, 3,5-diphenyl-
- 3,5-diphenyl-1,2-oxazole-4-carbaldehyde
- 3,5-Diphenylisoxazole-4-carbaldehyde
- DTXSID00523906
- 89479-71-0
-
- Inchi： 1S/C16H11NO2/c18-11-14-15(12-7-3-1-4-8-12)17-19-16(14)13-9-5-2-6-10-13/h1-11H
- InChI Key： OZMLNKAXYSWXSV-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)=C(C=O)C(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 249.078978594g/mol
- Monoisotopic Mass: 249.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 295
- 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: 43.1?2
4-Isoxazolecarboxaldehyde, 3,5-diphenyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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