Cas no 85153-59-9 (butyl 3-methylisoxazole-5-carboxylate)
85153-59-9 structure
Product Name:butyl 3-methylisoxazole-5-carboxylate
CAS No:85153-59-9
MF:C9H13NO3
MW:183.204422712326
CID:887405
PubChem ID:3020446
Update Time:2025-04-19
butyl 3-methylisoxazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- butyl 3-methylisoxazole-5-carboxylate
- butyl 3-methyl-1,2-oxazole-5-carboxylate
- 85153-59-9
- NS00063778
- DTXSID20234300
- EINECS 285-841-3
-
- Inchi： 1S/C9H13NO3/c1-3-4-5-12-9(11)8-6-7(2)10-13-8/h6H,3-5H2,1-2H3
- InChI Key： HTRHSZZDBULAMQ-UHFFFAOYSA-N
- SMILES： O(C(C1=CC(C)=NO1)=O)CCCC
Computed Properties
- Exact Mass: 183.09
- Monoisotopic Mass: 183.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 172
- 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: 2.2
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- Density: 1.083
- Boiling Point: 275.7°C at 760 mmHg
- Flash Point: 120.6°C
- Refractive Index: 1.469
butyl 3-methylisoxazole-5-carboxylate Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
85153-59-9 (butyl 3-methylisoxazole-5-carboxylate) Related Products
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