Cas no 61428-22-6 (Isoxazole, 4,5-dimethyl-3-phenyl-)
61428-22-6 structure
Product Name:Isoxazole, 4,5-dimethyl-3-phenyl-
CAS No:61428-22-6
MF:C11H11NO
MW:173.211142778397
CID:479847
PubChem ID:429448
Update Time:2025-04-19
Isoxazole, 4,5-dimethyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 4,5-dimethyl-3-phenyl-
- 4,5-dimethyl-3-phenyl-1,2-oxazole
- 61428-22-6
- DTXSID70330442
- dimethylphenyl-isoxazole
- NSC-255242
- NSC255242
- 4,5-Dimethyl-3-phenylisoxazole
- SCHEMBL2205047
-
- Inchi： 1S/C11H11NO/c1-8-9(2)13-12-11(8)10-6-4-3-5-7-10/h3-7H,1-2H3
- InChI Key： KHSDNLGBBHFIAF-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C)C(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 173.08413
- Monoisotopic Mass: 173.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 166
- 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: 2.8
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole, 4,5-dimethyl-3-phenyl- Related Literature
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
61428-22-6 (Isoxazole, 4,5-dimethyl-3-phenyl-) Related Products
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