Cas no 301168-24-1 (1-(3-Cyclopropylisoxazol-5-yl)ethanol)
301168-24-1 structure
Product Name:1-(3-Cyclopropylisoxazol-5-yl)ethanol
CAS No:301168-24-1
MF:C8H11NO2
MW:153.178442239761
CID:298988
Update Time:2023-08-02
1-(3-Cyclopropylisoxazol-5-yl)ethanol Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolemethanol,3-cyclopropyl-a-methyl-
- 5-Isoxazolemethanol,3-cyclopropyl--alpha--methyl-(9CI)
- 1-(3-cyclopropylisoxazol-5-yl)ethanol
- 1-(3-Cyclopropylisoxazol-5-yl)ethanol
-
- Inchi： 1S/C8H11NO2/c1-5(10)8-4-7(9-11-8)6-2-3-6/h4-6,10H,2-3H2,1H3
- InChI Key： XVDMKXPSMMUAMO-UHFFFAOYSA-N
- SMILES： O1C(C(C)O)=CC(C2CC2)=N1
Computed Properties
- Exact Mass: 153.079
- Monoisotopic Mass: 153.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 147
- 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
- Topological Polar Surface Area: 46.3
1-(3-Cyclopropylisoxazol-5-yl)ethanol Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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