Cas no 918884-77-2 (Isoxazole, 5-(2-methylphenyl)-)
918884-77-2 structure
Product Name:Isoxazole, 5-(2-methylphenyl)-
CAS No:918884-77-2
MF:C10H9NO
MW:159.184562444687
CID:769211
PubChem ID:19701685
Update Time:2025-04-19
Isoxazole, 5-(2-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 5-(2-methylphenyl)-
- 5-(2-methylphenyl)-1,2-oxazole
- DTXSID70599310
- SCHEMBL12681544
- 5-(o-Tolyl)isoxazole
- AKOS014574706
- 918884-77-2
-
- Inchi： 1S/C10H9NO/c1-8-4-2-3-5-9(8)10-6-7-11-12-10/h2-7H,1H3
- InChI Key： WERCTINZKABLHU-UHFFFAOYSA-N
- SMILES： O1C(=CC=N1)C1C=CC=CC=1C
Computed Properties
- Exact Mass: 159.068413911g/mol
- Monoisotopic Mass: 159.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 149
- 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: 2.4
- Topological Polar Surface Area: 26?2
Isoxazole, 5-(2-methylphenyl)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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