Cas no 31301-47-0 (Methanone, (3,5-dimethyl-4-isoxazolyl)phenyl-)
31301-47-0 structure
Product Name:Methanone, (3,5-dimethyl-4-isoxazolyl)phenyl-
CAS No:31301-47-0
MF:C12H11NO2
MW:201.221243143082
CID:1446315
PubChem ID:11310177
Update Time:2025-04-20
Methanone, (3,5-dimethyl-4-isoxazolyl)phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (3,5-dimethyl-4-isoxazolyl)phenyl-
- 4-Benzoyl-3,5-dimethylisoxazole
- Q63395259
- DTXSID801266958
- 31301-47-0
- (3,5-Dimethyl-4-isoxazolyl)phenylmethanone
- SCHEMBL1323891
-
- Inchi： 1S/C12H11NO2/c1-8-11(9(2)15-13-8)12(14)10-6-4-3-5-7-10/h3-7H,1-2H3
- InChI Key： UMVZSCXHLBVSCM-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C2C=CC=CC=2)=O)C(C)=N1
Computed Properties
- Exact Mass: 201.07903
- Monoisotopic Mass: 201.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 236
- 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: 2.5
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.1
Methanone, (3,5-dimethyl-4-isoxazolyl)phenyl- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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