Cas no 160850-61-3 (3-Isoxazolecarboxylicacid, 4,5-dimethyl-, methyl ester)
160850-61-3 structure
Product Name:3-Isoxazolecarboxylicacid, 4,5-dimethyl-, methyl ester
CAS No:160850-61-3
MF:C7H9NO3
MW:155.151262044907
CID:109603
PubChem ID:13524800
Update Time:2025-04-18
3-Isoxazolecarboxylicacid, 4,5-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxylicacid, 4,5-dimethyl-, methyl ester
- 3-Isoxazolecarboxylicacid,4,5-dimethyl-,methylester(9CI)
- Methyl 4,5-dimethylisoxazole-3-carboxylate
- METHYL 4,5-DIMETHYL-1,2-OXAZOLE-3-CARBOXYLATE
- 160850-61-3
- SCHEMBL25985564
-
- Inchi： 1S/C7H9NO3/c1-4-5(2)11-8-6(4)7(9)10-3/h1-3H3
- InChI Key： LKQZQQAQWFKBNG-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C)C(C(=O)OC)=N1
Computed Properties
- Exact Mass: 155.058243149g/mol
- Monoisotopic Mass: 155.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 160
- 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: 1.3
- Topological Polar Surface Area: 52.3?2
3-Isoxazolecarboxylicacid, 4,5-dimethyl-, methyl ester Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
160850-61-3 (3-Isoxazolecarboxylicacid, 4,5-dimethyl-, methyl ester) Related Products
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