Cas no 261350-52-1 (5-Isoxazolecarboxylicacid,4-methyl-,1-methylethylester(9CI))
261350-52-1 structure
Product Name:5-Isoxazolecarboxylicacid,4-methyl-,1-methylethylester(9CI)
CAS No:261350-52-1
MF:C8H11NO3
MW:169.177842378616
CID:914247
PubChem ID:15880727
Update Time:2025-04-19
5-Isoxazolecarboxylicacid,4-methyl-,1-methylethylester(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolecarboxylicacid,4-methyl-,1-methylethylester(9CI)
- AKOS013566734
- Isopropyl 4-methylisoxazole-5-carboxylate
- 261350-52-1
-
- Inchi： 1S/C8H11NO3/c1-5(2)11-8(10)7-6(3)4-9-12-7/h4-5H,1-3H3
- InChI Key： YDZFZCYPORETGN-UHFFFAOYSA-N
- SMILES： O(C(C1=C(C=NO1)C)=O)C(C)C
Computed Properties
- Exact Mass: 169.07400
- Monoisotopic Mass: 169.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 170
- 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: 1.7
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.33000
- LogP: 1.54820
5-Isoxazolecarboxylicacid,4-methyl-,1-methylethylester(9CI) Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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5. 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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