Cas no 301168-22-9 (1-(3-Isopropylisoxazol-5-yl)ethanol)
301168-22-9 structure
Product Name:1-(3-Isopropylisoxazol-5-yl)ethanol
CAS No:301168-22-9
MF:C8H13NO2
MW:155.194322347641
CID:298982
Update Time:2023-08-02
1-(3-Isopropylisoxazol-5-yl)ethanol Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolemethanol, a-methyl-3-(1-methylethyl)-
- 5-Isoxazolemethanol,alpha-methyl-3-(1-methylethyl)-(9CI)
- 1-(3-isopropylisoxazol-5-yl)ethanol
- 1-(3-Isopropylisoxazol-5-yl)ethanol
-
- Inchi: 1S/C8H13NO2/c1-5(2)7-4-8(6(3)10)11-9-7/h4-6,10H,1-3H3
- InChI Key: GBQBRQMVTOWOIN-UHFFFAOYSA-N
- SMILES: O1C(C(C)O)=CC(C(C)C)=N1
Computed Properties
- Exact Mass: 155.095
- Monoisotopic Mass: 155.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 127
- 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-Isopropylisoxazol-5-yl)ethanol Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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