Cas no 96603-77-9 (Isoxazole,3-methyl-5-(propoxymethyl)-)
96603-77-9 structure
Product Name:Isoxazole,3-methyl-5-(propoxymethyl)-
CAS No:96603-77-9
MF:C8H13NO2
MW:155.194322347641
CID:800439
PubChem ID:13460557
Update Time:2025-04-19
Isoxazole,3-methyl-5-(propoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,3-methyl-5-(propoxymethyl)-
- Isoxazole, 3-methyl-5-(propoxymethyl)- (9CI)
- 96603-77-9
- 3-methyl-5-(propoxymethyl)isoxazole
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- Inchi： 1S/C8H13NO2/c1-3-4-10-6-8-5-7(2)9-11-8/h5H,3-4,6H2,1-2H3
- InChI Key： CJWIIJCDLHXNIE-UHFFFAOYSA-N
- SMILES： O(CC1=CC(C)=NO1)CCC
Computed Properties
- Exact Mass: 155.094628657g/mol
- Monoisotopic Mass: 155.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 108
- 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: 1.3
- Topological Polar Surface Area: 35.3?2
Isoxazole,3-methyl-5-(propoxymethyl)- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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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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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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