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2459-09-8 | 4-Pyridinecarboxylic acid, methyl ester
CAS No: 2459-09-8 Catalog No: AG002OOM MDL No:MFCD00006427
Product Description
Catalog Number:
AG002OOM
Chemical Name:
4-Pyridinecarboxylic acid, methyl ester
CAS Number:
2459-09-8
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD00006427
IUPAC Name:
methyl pyridine-4-carboxylate
InChI:
InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3
InChI Key:
OLXYLDUSSBULGU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccncc1
EC Number:
219-546-8
UNII:
AH74GPR4IK
NSC Number:
18257
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis, crystal structure, EPR spectra of Cu2+ doped [Zn(methylisonicotinate)2(H2O)4]·(sac)2 single crystal. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901 |
| N-Hy-droxy-pyridine-4-carboxamide. | Acta crystallographica. Section E, Structure reports online 20110801 |
| Suppression of jasmonic acid-dependent defense in cotton plant by the mealybug Phenacoccus solenopsis. | PloS one 20110101 |
| Methyl isonicotinate 1-oxide. | Acta crystallographica. Section E, Structure reports online 20100301 |
| Pyridine compounds increase thrips (Thysanoptera: Thripidae) trap capture in an onion crop. | Journal of economic entomology 20090801 |
| 3-(4-Pyrid-yl)-4,5-dihydro-1H-benzo[g]indazole. | Acta crystallographica. Section E, Structure reports online 20081201 |
| NMR and theoretical study on interactions between diperoxovanadate complex and 4-substituted pyridines. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081115 |
| 4-Pyridyl carbonyl compounds as thrips lures: effectiveness for Western flower thrips in y-tube bioassays. | Journal of agricultural and food chemistry 20080813 |
| Factors affecting the selectivity of the oxidation of methyl p-toluate by cobalt(III). | Inorganic chemistry 20080317 |
| 4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments. | Journal of agricultural and food chemistry 20070725 |
| 3'-azido-3'-deoxy-5'-O-isonicotinoylthymidine: a novel antiretroviral analog of zidovudine. III. Solubility studies. | Nucleosides, nucleotides & nucleic acids 20060101 |
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