Cas no 142705-49-5 (4-Isoxazolebutanoic acid, pentyl ester)
142705-49-5 structure
Product Name:4-Isoxazolebutanoic acid, pentyl ester
CAS No:142705-49-5
MF:C12H19NO3
MW:225.284163713455
CID:3738498
PubChem ID:85650680
Update Time:2025-04-22
4-Isoxazolebutanoic acid, pentyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolebutanoic acid, pentyl ester
- 142705-49-5
- Pentyl 4-isoxazolebutanoate
- DTXSID501309799
-
- Inchi： 1S/C12H19NO3/c1-2-3-4-8-15-12(14)7-5-6-11-9-13-16-10-11/h9-10H,2-8H2,1H3
- InChI Key： QFYPNLABMTYXOV-UHFFFAOYSA-N
- SMILES： O1C=C(CCCC(OCCCCC)=O)C=N1
Computed Properties
- Exact Mass: 225.13649347Da
- Monoisotopic Mass: 225.13649347Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 197
- 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: 2.6
- Topological Polar Surface Area: 52.3?2
4-Isoxazolebutanoic acid, pentyl ester Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
142705-49-5 (4-Isoxazolebutanoic acid, pentyl ester) Related Products
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