Cas no 50899-16-6 (4-Isoxazolecarboxylicacid,3-phenyl-,methylester(9CI))
50899-16-6 structure
Product Name:4-Isoxazolecarboxylicacid,3-phenyl-,methylester(9CI)
CAS No:50899-16-6
MF:C11H9NO3
MW:203.194062948227
CID:934443
PubChem ID:10750662
Update Time:2025-04-19
4-Isoxazolecarboxylicacid,3-phenyl-,methylester(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylicacid,3-phenyl-,methylester(9CI)
- 50899-16-6
- Methyl 3-phenyl-4-isoxazolecarboxylate
- Methyl 3-phenylisoxazole-4-carboxylate
- 3-Phenyl-isoxazole-4-carboxylic acid methyl ester
- SCHEMBL2929763
- DB-094344
- OZBXRLIQRLBLFK-UHFFFAOYSA-N
-
- Inchi： 1S/C11H9NO3/c1-14-11(13)9-7-15-12-10(9)8-5-3-2-4-6-8/h2-7H,1H3
- InChI Key： OZBXRLIQRLBLFK-UHFFFAOYSA-N
- SMILES： O1C=C(C(=O)OC)C(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 203.058243149g/mol
- Monoisotopic Mass: 203.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 226
- 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: 1.9
- Topological Polar Surface Area: 52.3?2
4-Isoxazolecarboxylicacid,3-phenyl-,methylester(9CI) Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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