Cas no 17335-06-7 (3-Isoxazolecarboxylicacid, 4-benzoyl-5-methyl-, ethyl ester)
17335-06-7 structure
Product Name:3-Isoxazolecarboxylicacid, 4-benzoyl-5-methyl-, ethyl ester
CAS No:17335-06-7
MF:C14H13NO4
MW:259.257323980331
CID:213059
PubChem ID:28483
Update Time:2025-04-19
3-Isoxazolecarboxylicacid, 4-benzoyl-5-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxylicacid, 4-benzoyl-5-methyl-, ethyl ester
- 4-Benzoyl-5-methyl-3-isoxazolecarboxylic acid ethyl ester
- ethyl 4-benzoyl-5-methyl-1,2-oxazole-3-carboxylate
- ETHYL 4-BENZOYL-5-METHYLISOXAZOLE-3-CARBOXYLATE
- SCHEMBL994810
- DTXSID40169605
- BRN 0996797
- 3-ISOXAZOLECARBOXYLIC ACID, 4-BENZOYL-5-METHYL-, ETHYL ESTER
- 17335-06-7
-
- Inchi： 1S/C14H13NO4/c1-3-18-14(17)12-11(9(2)19-15-12)13(16)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
- InChI Key： MIRRVOUGVODFOY-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C2C=CC=CC=2)=O)C(C(=O)OCC)=N1
Computed Properties
- Exact Mass: 259.08449
- Monoisotopic Mass: 259.084458
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 338
- 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
- Topological Polar Surface Area: 69.4
- XLogP3: 2.7
Experimental Properties
- Density: 1.21
- Boiling Point: 373.2°Cat760mmHg
- Flash Point: 179.5°C
- Refractive Index: 1.544
- PSA: 69.4
3-Isoxazolecarboxylicacid, 4-benzoyl-5-methyl-, ethyl ester Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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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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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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