Cas no 96603-78-0 (Isoxazole,5-(butoxymethyl)-3-methyl-)
96603-78-0 structure
Product Name:Isoxazole,5-(butoxymethyl)-3-methyl-
CAS No:96603-78-0
MF:C9H15NO2
MW:169.220902681351
CID:800440
PubChem ID:13460558
Update Time:2025-04-19
Isoxazole,5-(butoxymethyl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,5-(butoxymethyl)-3-methyl-
- Isoxazole, 5-(butoxymethyl)-3-methyl- (9CI)
- 96603-78-0
- 5-(butoxymethyl)-3-methylisoxazole
- Isoxazole,5-(butoxymethyl)-3-methyl-(9ci)
-
- Inchi： 1S/C9H15NO2/c1-3-4-5-11-7-9-6-8(2)10-12-9/h6H,3-5,7H2,1-2H3
- InChI Key： DILIQUQMUBERIA-UHFFFAOYSA-N
- SMILES： O(CC1=CC(C)=NO1)CCCC
Computed Properties
- Exact Mass: 169.110278721g/mol
- 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: 5
- Complexity: 119
- 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: 1.7
- Topological Polar Surface Area: 35.3?2
Isoxazole,5-(butoxymethyl)-3-methyl- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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