4-(3-Pyridyloxy)benzaldehyde - CAS 87626-41-3
Catalog: |
BB038555 |
Product Name: |
4-(3-Pyridyloxy)benzaldehyde |
CAS: |
87626-41-3 |
Synonyms: |
4-(3-pyridinyloxy)benzaldehyde; 4-pyridin-3-yloxybenzaldehyde |
IUPAC Name: | 4-pyridin-3-yloxybenzaldehyde |
Description: | 4-(3-Pyridyloxy)benzaldehyde (CAS# 87626-41-3) is a useful research chemical. |
Molecular Weight: | 199.21 |
Molecular Formula: | C12H9NO2 |
Canonical SMILES: | C1=CC(=CN=C1)OC2=CC=C(C=C2)C=O |
InChI: | InChI=1S/C12H9NO2/c14-9-10-3-5-11(6-4-10)15-12-2-1-7-13-8-12/h1-9H |
InChI Key: | VNZCKMVWWJJZIL-UHFFFAOYSA-N |
LogP: | 2.68640 |
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 |
US-2020206233-A1 | Heterocyclic compounds as mutant idh inhibitors | 20181231 |
WO-2020141439-A1 | Heterocyclic compounds as mutant idh inhibitors | 20181231 |
AU-2010249674-A1 | Isoxazolines as inhibitors of fatty acid amide hydrolase | 20090518 |
CA-2762527-A1 | Isoxazolines as inhibitors of fatty acid amide hydrolase | 20090518 |
EP-2432771-A1 | Isoxazolines as inhibitors of fatty acid amide hydrolase | 20090518 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.063328530 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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