Cas no 910321-87-8 (5-Isoxazolecarboxylic acid, 3-ethyl-, methyl ester)
910321-87-8 structure
Product Name:5-Isoxazolecarboxylic acid, 3-ethyl-, methyl ester
CAS No:910321-87-8
MF:C7H9NO3
MW:155.151262044907
CID:1021680
PubChem ID:45117973
Update Time:2025-04-20
5-Isoxazolecarboxylic acid, 3-ethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolecarboxylic acid, 3-ethyl-, methyl ester
- 910321-87-8
- SCHEMBL5281685
- methyl 3-ethylisoxazole-5-carboxylate
-
- Inchi： 1S/C7H9NO3/c1-3-5-4-6(11-8-5)7(9)10-2/h4H,3H2,1-2H3
- InChI Key： LGIMKMLVJACHCV-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OC)=CC(CC)=N1
Computed Properties
- Exact Mass: 155.058
- Monoisotopic Mass: 155.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 149
- 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
- Topological Polar Surface Area: 52.3A^2
- XLogP3: 1.4
5-Isoxazolecarboxylic acid, 3-ethyl-, methyl ester Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
910321-87-8 (5-Isoxazolecarboxylic acid, 3-ethyl-, methyl ester) Related Products
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