Cas no 53967-86-5 (2,1-Benzisoxazole,5-methoxy-3-methyl-(9CI))
53967-86-5 structure
Product Name:2,1-Benzisoxazole,5-methoxy-3-methyl-(9CI)
CAS No:53967-86-5
MF:C9H9NO2
MW:163.173262357712
CID:939405
PubChem ID:15313229
Update Time:2025-04-19
2,1-Benzisoxazole,5-methoxy-3-methyl-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 2,1-Benzisoxazole,5-methoxy-3-methyl-(9CI)
- 53967-86-5
- 5-methoxy-3-methylbenzo[c]isoxazole
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- Inchi： 1S/C9H9NO2/c1-6-8-5-7(11-2)3-4-9(8)10-12-6/h3-5H,1-2H3
- InChI Key： ZGRSSRUKHLLKNE-UHFFFAOYSA-N
- SMILES： O1C(C)=C2C=C(C=CC2=N1)OC
Computed Properties
- Exact Mass: 163.063328530g/mol
- Monoisotopic Mass: 163.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 2.1
- Topological Polar Surface Area: 35.3?2
2,1-Benzisoxazole,5-methoxy-3-methyl-(9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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