4-Methoxy-pyridine-2-carboxylic acid methyl ester - CAS 29681-43-4
Catalog: |
BB020272 |
Product Name: |
4-Methoxy-pyridine-2-carboxylic acid methyl ester |
CAS: |
29681-43-4 |
Synonyms: |
methyl 4-methoxypyridine-2-carboxylate |
IUPAC Name: | methyl 4-methoxypyridine-2-carboxylate |
Description: | 4-Methoxy-pyridine-2-carboxylic acid methyl ester (CAS# 29681-43-4) is a useful intermediate for the synthesis of substituted terpyridine ligands for use in protein purification. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | COC1=CC(=NC=C1)C(=O)OC |
InChI: | InChI=1S/C8H9NO3/c1-11-6-3-4-9-7(5-6)8(10)12-2/h3-5H,1-2H3 |
InChI Key: | OJDKENGKKYVJLY-UHFFFAOYSA-N |
Boiling Point: | 280.4 ℃ at 760 mmHg |
Melting Point: | 47-50 ℃ |
Purity: | 98 % |
Density: | 1.156 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00956223 |
LogP: | 0.87680 |
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 |
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Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Carbonyl Compounds
Pyridines
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