Cas no 150536-26-8 (Isoxazole,4-(3-methoxypropyl)-3,5-dimethyl-)
150536-26-8 structure
Product Name:Isoxazole,4-(3-methoxypropyl)-3,5-dimethyl-
CAS No:150536-26-8
MF:C9H15NO2
MW:169.220902681351
CID:99855
PubChem ID:15148620
Update Time:2025-04-18
Isoxazole,4-(3-methoxypropyl)-3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,4-(3-methoxypropyl)-3,5-dimethyl-
- Isoxazole, 4-(3-methoxypropyl)-3,5-dimethyl- (9CI)
- 4-(3-Methoxypropyl)-3,5-dimethylisoxazole
- 4-(3-METHOXYPROPYL)-3,5-DIMETHYL-1,2-OXAZOLE
- Isoxazole,4-(3-methoxypropyl)-3,5-dimethyl-(9ci)
- 150536-26-8
-
- Inchi： 1S/C9H15NO2/c1-7-9(5-4-6-11-3)8(2)12-10-7/h4-6H2,1-3H3
- InChI Key： FWUYSTXHJKRWCL-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C)=N1)CCCOC
Computed Properties
- Exact Mass: 169.11035
- Monoisotopic Mass: 169.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 130
- 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: 1.6
- Topological Polar Surface Area: 35.3?2
Experimental Properties
- PSA: 35.26
Isoxazole,4-(3-methoxypropyl)-3,5-dimethyl- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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