methyl 5-nitro-2-oxo-1,2-dihydropyridine-3-carboxylate - CAS 856579-28-7
Catalog: |
BB037675 |
Product Name: |
methyl 5-nitro-2-oxo-1,2-dihydropyridine-3-carboxylate |
CAS: |
856579-28-7 |
Synonyms: |
5-nitro-2-oxo-1H-pyridine-3-carboxylic acid methyl ester; methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate |
IUPAC Name: | methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate |
Description: | methyl 5-nitro-2-oxo-1,2-dihydropyridine-3-carboxylate (CAS# 856579-28-7) is a useful research chemical. |
Molecular Weight: | 198.134 |
Molecular Formula: | C7H6N2O5 |
Canonical SMILES: | COC(=O)C1=CC(=CNC1=O)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6N2O5/c1-14-7(11)5-2-4(9(12)13)3-8-6(5)10/h2-3H,1H3,(H,8,10) |
InChI Key: | DLMMETCUQGSGOK-UHFFFAOYSA-N |
Boiling Point: | 362.5 °C at 760 mmHg |
Density: | 1.49 g/cm3 |
LogP: | 1.00520 |
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: | 363 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.02767130 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.02767130 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 101 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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Pyridines
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