Methyl 3-Ethylisoxazole-4-carboxylate - CAS 1402812-89-8
Catalog: |
BB009052 |
Product Name: |
Methyl 3-Ethylisoxazole-4-carboxylate |
CAS: |
1402812-89-8 |
Synonyms: |
3-ethyl-4-isoxazolecarboxylic acid methyl ester; methyl 3-ethyl-1,2-oxazole-4-carboxylate |
IUPAC Name: | methyl 3-ethyl-1,2-oxazole-4-carboxylate |
Description: | Methyl 3-Ethylisoxazole-4-carboxylate (CAS# 1402812-89-8 ) is a useful research chemical. |
Molecular Weight: | 155.15 |
Molecular Formula: | C7H9NO3 |
Canonical SMILES: | CCC1=NOC=C1C(=O)OC |
InChI: | InChI=1S/C7H9NO3/c1-3-6-5(4-11-8-6)7(9)10-2/h4H,3H2,1-2H3 |
InChI Key: | QOYMZOMETTZKHO-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
TW-I405757-B | Polycyclic antagonist of lysophosphatidic acid receptor | 20090603 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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