Cas no 30118-89-9 (4-Isoxazolecarboxylicacid, 5-[(acetyloxy)methyl]-3-phenyl-)
![4-Isoxazolecarboxylicacid, 5-[(acetyloxy)methyl]-3-phenyl- structure](https://ossimg.kuujia.com/scimg/30500/30118-89-9x500.png)
30118-89-9 structure
Product Name:4-Isoxazolecarboxylicacid, 5-[(acetyloxy)methyl]-3-phenyl-
CAS No:30118-89-9
MF:C13H11NO5
MW:261.230143785477
CID:297035
PubChem ID:57357914
Update Time:2025-04-19
4-Isoxazolecarboxylicacid, 5-[(acetyloxy)methyl]-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylicacid, 5-[(acetyloxy)methyl]-3-phenyl-
- 4-Isoxazolecarboxylicacid, 5-(hydroxymethyl)-3-phenyl-, acetate (ester) (8CI)
- 5-(acetyloxymethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
- 5-(Acetoxymethyl)-3-phenylisoxazole-4-carboxylic acid
- 5-[(Acetyloxy)methyl]-3-phenyl-1,2-oxazole-4-carboxylic acid
- 30118-89-9
- DTXSID50723934
-
- Inchi： 1S/C13H11NO5/c1-8(15)18-7-10-11(13(16)17)12(14-19-10)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17)
- InChI Key： ZBRMXCOVIMLUBD-UHFFFAOYSA-N
- SMILES： O1C(COC(C)=O)=C(C(=O)O)C(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 261.06373
- Monoisotopic Mass: 261.06372245g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 340
- 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: 1.3
- Topological Polar Surface Area: 89.6?2
Experimental Properties
- PSA: 89.63
4-Isoxazolecarboxylicacid, 5-[(acetyloxy)methyl]-3-phenyl- Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
30118-89-9 (4-Isoxazolecarboxylicacid, 5-[(acetyloxy)methyl]-3-phenyl-) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
