Ethyl 5-Cyclopropylisoxazole-3-carboxylate - CAS 21080-81-9
Catalog: |
BB016593 |
Product Name: |
Ethyl 5-Cyclopropylisoxazole-3-carboxylate |
CAS: |
21080-81-9 |
Synonyms: |
5-cyclopropyl-3-isoxazolecarboxylic acid ethyl ester; ethyl 5-cyclopropyl-1,2-oxazole-3-carboxylate |
IUPAC Name: | ethyl 5-cyclopropyl-1,2-oxazole-3-carboxylate |
Description: | Ethyl 5-Cyclopropylisoxazole-3-carboxylate (CAS# 21080-81-9) is a useful research chemical. |
Molecular Weight: | 181.19 |
Molecular Formula: | C9H11NO3 |
Canonical SMILES: | CCOC(=O)C1=NOC(=C1)C2CC2 |
InChI: | InChI=1S/C9H11NO3/c1-2-12-9(11)7-5-8(13-10-7)6-3-4-6/h5-6H,2-4H2,1H3 |
InChI Key: | XMKHEATVFWAIMD-UHFFFAOYSA-N |
LogP: | 1.72870 |
Publication Number | Title | Priority Date |
US-2020123142-A1 | Substituted Cyclohexylamine Compounds | 20181019 |
AU-2017382360-A1 | Compounds, compositions and methods of use | 20161223 |
CA-3047404-A1 | Compounds, compositions and methods of use | 20161223 |
EP-3557998-A1 | Compouns, compositions and methods of use | 20161223 |
JP-2020503314-A | Compounds, compositions, and methods of use | 20161223 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.07389321 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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