Cas no 63152-89-6 (3-Methyl-5-[(oxiran-2-yl)methoxy]-1,2-benzoxazole)
![3-Methyl-5-[(oxiran-2-yl)methoxy]-1,2-benzoxazole structure](https://ossimg.kuujia.com/scimg/63500/63152-89-6x500.png)
63152-89-6 structure
Product Name:3-Methyl-5-[(oxiran-2-yl)methoxy]-1,2-benzoxazole
CAS No:63152-89-6
MF:C11H11NO3
MW:205.209943056107
CID:2789819
PubChem ID:71373279
Update Time:2025-04-21
3-Methyl-5-[(oxiran-2-yl)methoxy]-1,2-benzoxazole Chemical and Physical Properties
Names and Identifiers
-
- 3-Methyl-5-[(oxiran-2-yl)methoxy]-1,2-benzoxazole
- DTXSID50796108
- 63152-89-6
-
- Inchi： 1S/C11H11NO3/c1-7-10-4-8(13-5-9-6-14-9)2-3-11(10)15-12-7/h2-4,9H,5-6H2,1H3
- InChI Key： XDJMZOKSDIKTOB-UHFFFAOYSA-N
- SMILES： O1CC1COC1C=CC2=C(C(C)=NO2)C=1
Computed Properties
- Exact Mass: 205.07389321Da
- Monoisotopic Mass: 205.07389321Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 236
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 47.8?2
3-Methyl-5-[(oxiran-2-yl)methoxy]-1,2-benzoxazole Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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