Methyl 5-Phenylisoxazole-3-carboxylate - CAS 51677-09-9
Catalog: |
BB027551 |
Product Name: |
Methyl 5-Phenylisoxazole-3-carboxylate |
CAS: |
51677-09-9 |
Synonyms: |
5-phenyl-3-isoxazolecarboxylic acid methyl ester; methyl 5-phenyl-1,2-oxazole-3-carboxylate |
IUPAC Name: | methyl 5-phenyl-1,2-oxazole-3-carboxylate |
Description: | Methyl 5-Phenylisoxazole-3-carboxylate (CAS# 51677-09-9) is a useful reagent for reactions with isoxazoles. |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | COC(=O)C1=NOC(=C1)C2=CC=CC=C2 |
InChI: | InChI=1S/C11H9NO3/c1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8/h2-7H,1H3 |
InChI Key: | XMPLCJOQBDGMKT-UHFFFAOYSA-N |
Boiling Point: | 370.2 ℃ at 760 mmHg |
Density: | 1.204 g/cm3 |
MDL: | MFCD02159553 |
LogP: | 2.12820 |
Publication Number | Title | Priority Date |
CN-107501200-A | A kind of organic molecule and its recognition methods to ammoniacal liquor, methylamine, aniline with recognition reaction | 20170919 |
CN-107501200-B | Organic small molecule with recognition effect on ammonia water, methylamine and aniline and recognition method thereof | 20170919 |
AU-2016368257-B2 | Five-membered heterocyclic amides wnt pathway inhibitor | 20151207 |
AU-2016368257-C1 | Five-membered heterocyclic amides wnt pathway inhibitor | 20151207 |
US-10821104-B2 | Five-membered heterocyclic amides WNT pathway inhibitor | 20151207 |
PMID | Publication Date | Title | Journal |
15739621 | 20050101 | Design of novel bioisosteres of beta-diketo acid inhibitors of HIV-1 integrase | Antiviral chemistry & chemotherapy |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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