Cas no 898289-14-0 (Methyl 2-(3-methyl-1，2，4-oxadiazol-5-yl)benzoate)
898289-14-0 structure
Product Name:Methyl 2-(3-methyl-1，2，4-oxadiazol-5-yl)benzoate
CAS No:898289-14-0
MF:C11H10N2O3
MW:218.20870256424
CID:715033
PubChem ID:18525835
Update Time:2025-04-19
Methyl 2-(3-methyl-1，2，4-oxadiazol-5-yl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-(3-methyl-1,2,4-oxadiazol-5-yl)-, methyl ester
- Methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
- MFCD08690280
- DTXSID30594588
- FT-0713014
- Methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate,95%
- 898289-14-0
- SCHEMBL17725584
- Methyl 2-(3-methyl-1，2，4-oxadiazol-5-yl)benzoate
-
- Inchi： 1S/C11H10N2O3/c1-7-12-10(16-13-7)8-5-3-4-6-9(8)11(14)15-2/h3-6H,1-2H3
- InChI Key： AMHURQVRFDDGPV-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2C(=O)OC)=NC(C)=N1
Computed Properties
- Exact Mass: 218.06914219g/mol
- Monoisotopic Mass: 218.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 260
- 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: 2.1
- Topological Polar Surface Area: 65.2?2
Experimental Properties
- Density: 1.225
- Boiling Point: 370.4°C at 760 mmHg
- Flash Point: 177.8°C
- Refractive Index: 1.54
Methyl 2-(3-methyl-1，2，4-oxadiazol-5-yl)benzoate Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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