5-Methoxy-3-pyridinecarboxaldehyde - CAS 113118-83-5
Catalog: |
BB003108 |
Product Name: |
5-Methoxy-3-pyridinecarboxaldehyde |
CAS: |
113118-83-5 |
Synonyms: |
5-methoxypyridine-3-carbaldehyde |
IUPAC Name: | 5-methoxypyridine-3-carbaldehyde |
Description: | 5-Methoxy-3-pyridinecarboxaldehyde (CAS# 113118-83-5) is a useful research chemical. |
Molecular Weight: | 139.15 |
Molecular Formula: | C7H9NO2 |
Canonical SMILES: | COC1=CN=CC(=C1)C=O |
InChI: | InChI=1S/C7H7NO2/c1-10-7-2-6(5-9)3-8-4-7/h2-5H,1H3 |
InChI Key: | YOVIXSRXKCZJRN-UHFFFAOYSA-N |
Boiling Point: | 262.1 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.159 g/cm3 |
Appearance: | Solid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD07437946 |
LogP: | 0.90270 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021212039-A1 | Inhibitors of cysteine proteases and methods of use thereof | 20200417 |
CN-111244543-A | High-voltage lithium ion battery electrolyte additive, electrolyte, battery and formation method thereof | 20200115 |
CN-109503586-A | A kind of dihydropteridine ketone BRD4 protein inhibitor, preparation method and applications | 20181224 |
CN-109503586-B | Dihydropteridinone BRD4 protein inhibitor, preparation method and application thereof | 20181224 |
CN-110964008-A | Substituted pyrazole fused ring derivative and preparation method and application thereof | 20180930 |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.047678466 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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