6-Methoxy-2-pyridinecarboxaldehyde - CAS 54221-96-4
Catalog: |
BB028563 |
Product Name: |
6-Methoxy-2-pyridinecarboxaldehyde |
CAS: |
54221-96-4 |
Synonyms: |
6-methoxypyridine-2-carbaldehyde |
IUPAC Name: | 6-methoxypyridine-2-carbaldehyde |
Description: | 6-Methoxy-2-pyridinecarboxaldehyde (CAS# 54221-96-4) is a useful research chemical. |
Molecular Weight: | 137.14 |
Molecular Formula: | C7H7NO2 |
Canonical SMILES: | COC1=CC=CC(=N1)C=O |
InChI: | InChI=1S/C7H7NO2/c1-10-7-4-2-3-6(5-9)8-7/h2-5H,1H3 |
InChI Key: | YDNWTNODZDSPNZ-UHFFFAOYSA-N |
Boiling Point: | 103-104 °C (20 mmHg) |
Purity: | 95 % |
Density: | 1.140 g/cm3 |
MDL: | MFCD05664030 |
LogP: | 0.90270 |
GHS Hazard Statement: | H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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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: | 1 |
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