Ethyl 3-Aminoisoxazole-5-carboxylate - CAS 203586-94-1
Catalog: |
BB015837 |
Product Name: |
Ethyl 3-Aminoisoxazole-5-carboxylate |
CAS: |
203586-94-1 |
Synonyms: |
3-amino-5-isoxazolecarboxylic acid ethyl ester; ethyl 3-amino-1,2-oxazole-5-carboxylate |
IUPAC Name: | ethyl 3-amino-1,2-oxazole-5-carboxylate |
Description: | Ethyl 3-Aminoisoxazole-5-carboxylate (CAS# 203586-94-1 ) is a useful research chemical. |
Molecular Weight: | 156.14 |
Molecular Formula: | C6H8N2O3 |
Canonical SMILES: | CCOC(=O)C1=CC(=NO1)N |
InChI: | InChI=1S/C6H8N2O3/c1-2-10-6(9)4-3-5(7)8-11-4/h3H,2H2,1H3,(H2,7,8) |
InChI Key: | IVFDIGGPNNRPBK-UHFFFAOYSA-N |
LogP: | 0.36360 |
Publication Number | Title | Priority Date |
US-2016332996-A1 | Hepatitis B Antiviral Agents | 20150513 |
WO-2016183266-A1 | Ehpatitis b antiviral agents | 20150513 |
US-10738035-B2 | Hepatitis B antiviral agents | 20150513 |
CA-2662773-A1 | N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase | 20060919 |
CA-2662773-C | N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase | 20060919 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.05349212 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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