Cas no 137267-50-6 (5-Oxazolemethanol, 4-ethyl-2-methyl-)
137267-50-6 structure
Product Name:5-Oxazolemethanol, 4-ethyl-2-methyl-
CAS No:137267-50-6
MF:C7H11NO2
MW:141.167742013931
CID:1241861
PubChem ID:15093938
Update Time:2025-04-20
5-Oxazolemethanol, 4-ethyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Oxazolemethanol, 4-ethyl-2-methyl-
- 137267-50-6
- (4-ethyl-2-methyl-1,3-oxazol-5-yl)methanol
-
- Inchi： 1S/C7H11NO2/c1-3-6-7(4-9)10-5(2)8-6/h9H,3-4H2,1-2H3
- InChI Key： UIOHIXVLLLXYGJ-UHFFFAOYSA-N
- SMILES： O1C(C)=NC(=C1CO)CC
Computed Properties
- Exact Mass: 141.07903
- Monoisotopic Mass: 141.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 108
- 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: 0.7
- Topological Polar Surface Area: 46.3?2
Experimental Properties
- PSA: 46.26
5-Oxazolemethanol, 4-ethyl-2-methyl- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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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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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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4. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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