Cas no 668971-34-4 (3-Isoxazolecarboxylic acid, 5-(3-phenylpropyl)-)
668971-34-4 structure
Product Name:3-Isoxazolecarboxylic acid, 5-(3-phenylpropyl)-
CAS No:668971-34-4
MF:C13H13NO3
MW:231.247223615646
CID:1713220
Update Time:2024-08-31
3-Isoxazolecarboxylic acid, 5-(3-phenylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxylic acid, 5-(3-phenylpropyl)-
- 5-(3-phenylpropyl)isoxazole-3-carboxylic acid
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- Inchi: 1S/C13H13NO3/c15-13(16)12-9-11(17-14-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,15,16)
- InChI Key: YGHSJLIDMDNPEQ-UHFFFAOYSA-N
- SMILES: O1C(CCCC2=CC=CC=C2)=CC(C(O)=O)=N1
Computed Properties
- Exact Mass: 231.08959
Experimental Properties
- Density: 1.230±0.06 g/cm3(Predicted)
- Boiling Point: 418.6±33.0 °C(Predicted)
- PSA: 63.33
- pka: 3.47±0.10(Predicted)
3-Isoxazolecarboxylic acid, 5-(3-phenylpropyl)- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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