Cas no 83222-49-5 (3-Isoxazolecarboxylic acid, 5-pentyl-, ethyl ester)
83222-49-5 structure
Product Name:3-Isoxazolecarboxylic acid, 5-pentyl-, ethyl ester
CAS No:83222-49-5
MF:C11H17NO3
MW:211.257583379745
CID:675654
PubChem ID:12777407
Update Time:2025-04-19
3-Isoxazolecarboxylic acid, 5-pentyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxylic acid, 5-pentyl-, ethyl ester
- ethyl 5-pentyl-1,2-oxazole-3-carboxylate
- 5-pentyl-3-carboethoxyisoxazole
- DTXSID00509604
- VNPVLLYDGNWACB-UHFFFAOYSA-N
- 83222-49-5
- SCHEMBL4551128
- ethyl 5-pentylisoxazole-3-carboxylate
-
- Inchi： 1S/C11H17NO3/c1-3-5-6-7-9-8-10(12-15-9)11(13)14-4-2/h8H,3-7H2,1-2H3
- InChI Key： VNPVLLYDGNWACB-UHFFFAOYSA-N
- SMILES： O1C(=CC(C(=O)OCC)=N1)CCCCC
Computed Properties
- Exact Mass: 211.12084340g/mol
- Monoisotopic Mass: 211.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 196
- 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: 3.2
- Topological Polar Surface Area: 52.3?2
3-Isoxazolecarboxylic acid, 5-pentyl-, ethyl ester Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
83222-49-5 (3-Isoxazolecarboxylic acid, 5-pentyl-, ethyl ester) Related Products
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