Cas no 67363-57-9 (Phenol, 2-(4-methyl-5-isoxazolyl)-)
67363-57-9 structure
Product Name:Phenol, 2-(4-methyl-5-isoxazolyl)-
CAS No:67363-57-9
MF:C10H9NO2
MW:175.183962583542
CID:394941
PubChem ID:135744208
Update Time:2025-04-19
Phenol, 2-(4-methyl-5-isoxazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-(4-methyl-5-isoxazolyl)-
- 6-(4-methyl-2H-1,2-oxazol-5-ylidene)cyclohexa-2,4-dien-1-one
- DTXSID80707823
- 67363-57-9
- 6-(4-Methyl-1,2-oxazol-5(2H)-ylidene)cyclohexa-2,4-dien-1-one
- SCHEMBL6764765
-
- Inchi： 1S/C10H9NO2/c1-7-6-11-13-10(7)8-4-2-3-5-9(8)12/h2-6,12H,1H3
- InChI Key： IWSCDJKCDAHERR-UHFFFAOYSA-N
- SMILES： O1C(=C(C=N1)C)C1C=CC=CC=1O
Computed Properties
- Exact Mass: 175.063328530g/mol
- Monoisotopic Mass: 175.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 174
- 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
- Topological Polar Surface Area: 46.3?2
Phenol, 2-(4-methyl-5-isoxazolyl)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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