Ethyl 3-phenylisoxazole-5-carboxylate - CAS 13599-24-1
Catalog: |
BB042899 |
Product Name: |
Ethyl 3-phenylisoxazole-5-carboxylate |
CAS: |
13599-24-1 |
Synonyms: |
SCHEMBL892695; Ethyl 3-phenyl-5-isoxazolecarboxylate; Ethyl 5-phenylisoxazole-3-carboxylate; Ethyl 5-phenyl-3-isoxazolecarboxylate; TIMTEC-BB SBB014614 |
IUPAC Name: | ethyl 3-phenyl-1,2-oxazole-5-carboxylate |
Description: | Ethyl 3-phenylisoxazole-5-carboxylate (CAS# 13599-24-1 ) is a useful research chemical. |
Molecular Weight: | 217.22 |
Molecular Formula: | C12H11NO3 |
Canonical SMILES: | CCOC(=O)C1=CC(=NO1)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H11NO3/c1-2-15-12(14)11-8-10(13-16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3 |
InChI Key: | XYKADOXYAZEDNB-UHFFFAOYSA-N |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.07389321 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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