Cas no 215319-09-8 (Benzoic acid, 4-[5-(hydroxymethyl)-3-isoxazolyl]-, methyl ester)
![Benzoic acid, 4-[5-(hydroxymethyl)-3-isoxazolyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/215500/215319-09-8x500.png)
215319-09-8 structure
Product Name:Benzoic acid, 4-[5-(hydroxymethyl)-3-isoxazolyl]-, methyl ester
CAS No:215319-09-8
MF:C12H11NO4
MW:233.220043420792
CID:1401945
PubChem ID:11183886
Update Time:2025-04-20
Benzoic acid, 4-[5-(hydroxymethyl)-3-isoxazolyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[5-(hydroxymethyl)-3-isoxazolyl]-, methyl ester
- Methyl 4-[5-(hydroxymethyl)-3-isoxazolyl]benzoate
- DB-402439
- 215319-09-8
-
- Inchi： 1S/C12H11NO4/c1-16-12(15)9-4-2-8(3-5-9)11-6-10(7-14)17-13-11/h2-6,14H,7H2,1H3
- InChI Key： GUTCGOSIYSXTCR-UHFFFAOYSA-N
- SMILES： O1C(CO)=CC(C2C=CC(C(=O)OC)=CC=2)=N1
Computed Properties
- Exact Mass: 233.06883
- Monoisotopic Mass: 233.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 263
- 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
- Topological Polar Surface Area: 72.6?2
Experimental Properties
- PSA: 72.56
Benzoic acid, 4-[5-(hydroxymethyl)-3-isoxazolyl]-, methyl ester Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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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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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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