Cas no 1315451-30-9 ((3-(2,6-Dimethylphenyl)-5-methylisoxazol-4-yl)methanol)
1315451-30-9 structure
Product Name:(3-(2,6-Dimethylphenyl)-5-methylisoxazol-4-yl)methanol
CAS No:1315451-30-9
MF:C13H15NO2
MW:217.263703584671
CID:1084774
PubChem ID:73553855
Update Time:2025-04-20
(3-(2,6-Dimethylphenyl)-5-methylisoxazol-4-yl)methanol Chemical and Physical Properties
Names and Identifiers
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- (3-(2,6-Dimethylphenyl)-5-methylisoxazol-4-yl)methanol
- [3-(2,6-Dimethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
- 1315451-30-9
-
- Inchi： 1S/C13H15NO2/c1-8-5-4-6-9(2)12(8)13-11(7-15)10(3)16-14-13/h4-6,15H,7H2,1-3H3
- InChI Key： LWNMRFJKXXYBBZ-UHFFFAOYSA-N
- SMILES： O1C(C)=C(CO)C(C2C(C)=CC=CC=2C)=N1
Computed Properties
- Exact Mass: 217.110278721g/mol
- Monoisotopic Mass: 217.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 224
- 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: 2.3
- Topological Polar Surface Area: 46.3?2
(3-(2,6-Dimethylphenyl)-5-methylisoxazol-4-yl)methanol Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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