5-Methoxyisoquinoline - CAS 90806-58-9
Catalog: |
BB039957 |
Product Name: |
5-Methoxyisoquinoline |
CAS: |
90806-58-9 |
Synonyms: |
5-methoxyisoquinoline; 5-methoxyisoquinoline |
IUPAC Name: | 5-methoxyisoquinoline |
Description: | 5-Methoxyisoquinoline (CAS# 90806-58-9 ) is a useful research chemical. |
Molecular Weight: | 159.18 |
Molecular Formula: | C10H9NO |
Canonical SMILES: | COC1=CC=CC2=C1C=CN=C2 |
InChI: | InChI=1S/C10H9NO/c1-12-10-4-2-3-8-7-11-6-5-9(8)10/h2-7H,1H3 |
InChI Key: | NRQNEMBSIAIKFB-UHFFFAOYSA-N |
Boiling Point: | 295.593 °C at 760 mmHg |
Density: | 1.131 g/cm3 |
MDL: | MFCD11846297 |
LogP: | 2.24340 |
Publication Number | Title | Priority Date |
WO-2020132045-A1 | Inhibitors of sarm1 in combination with neuroprotective agents | 20181219 |
WO-2020081923-A1 | Inhibitors of sarm1 in combination with nad+ or a nad+ precursor | 20181019 |
EP-3712129-A1 | Alpha, beta-unsaturated amide compound | 20170623 |
US-2021155612-A1 | Alpha,Beta-UNSATURATED AMIDE COMPOUND | 20170623 |
EP-3401309-A1 | a, ß UNSATURATED AMIDE COMPOUND | 20151224 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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