Methyl 3-(4-methoxyphenyl)-6-methylisoxazolo[5,4-b]pyridine-4-carboxylate - CAS 1018144-20-1
Catalog: |
BB052520 |
Product Name: |
Methyl 3-(4-methoxyphenyl)-6-methylisoxazolo[5,4-b]pyridine-4-carboxylate |
CAS: |
1018144-20-1 |
Synonyms: |
methyl3-(4-methoxyphenyl)-6-methylisoxazolo[5,4-b]pyridine-4-carboxylate |
IUPAC Name: | methyl 3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate |
Molecular Weight: | 298.29 |
Molecular Formula: | C16H14N2O4 |
Canonical SMILES: | CC1=CC(=C2C(=NOC2=N1)C3=CC=C(C=C3)OC)C(=O)OC |
InChI: | InChI=1S/C16H14N2O4/c1-9-8-12(16(19)21-3)13-14(18-22-15(13)17-9)10-4-6-11(20-2)7-5-10/h4-8H,1-3H3 |
InChI Key: | BEDFHMDASGOWBC-UHFFFAOYSA-N |
Boiling Point: | 462.8±45.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 398 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.09535693 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.09535693 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 74.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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