5-Ethoxynicotinaldehyde - CAS 227939-23-3
Catalog: |
BB017747 |
Product Name: |
5-Ethoxynicotinaldehyde |
CAS: |
227939-23-3 |
Synonyms: |
5-ethoxy-3-pyridinecarboxaldehyde; 5-ethoxypyridine-3-carbaldehyde |
IUPAC Name: | 5-ethoxypyridine-3-carbaldehyde |
Description: | 5-Ethoxynicotinaldehyde (CAS# 227939-23-3) is a useful research chemical. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CCOC1=CN=CC(=C1)C=O |
InChI: | InChI=1S/C8H9NO2/c1-2-11-8-3-7(6-10)4-9-5-8/h3-6H,2H2,1H3 |
InChI Key: | HIDAERAKVUSKAA-UHFFFAOYSA-N |
LogP: | 1.29280 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019243531-A1 | Oga inhibitor compounds | 20180620 |
AU-2019291097-A1 | OGA inhibitor compounds | 20180620 |
CN-112334462-A | OGA inhibitor compounds | 20180620 |
EP-3810595-A1 | Oga inhibitor compounds | 20180620 |
US-2021300900-A1 | Oga inhibitor compounds | 20180620 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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