Ethyl 3-(2-Pyrazinyl)-3-oxopropanoate - CAS 62124-77-0
Catalog: |
BB031425 |
Product Name: |
Ethyl 3-(2-Pyrazinyl)-3-oxopropanoate |
CAS: |
62124-77-0 |
Synonyms: |
3-oxo-3-(2-pyrazinyl)propanoic acid ethyl ester; ethyl 3-oxo-3-pyrazin-2-ylpropanoate |
IUPAC Name: | ethyl 3-oxo-3-pyrazin-2-ylpropanoate |
Description: | Ethyl 3-(2-Pyrazinyl)-3-oxopropanoate (CAS# 62124-77-0) is a useful research chemical. |
Molecular Weight: | 194.19 |
Molecular Formula: | C9H10N2O3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=NC=CN=C1 |
InChI: | InChI=1S/C9H10N2O3/c1-2-14-9(13)5-8(12)7-6-10-3-4-11-7/h3-4,6H,2,5H2,1H3 |
InChI Key: | OPBDMDPBJKVMNL-UHFFFAOYSA-N |
Boiling Point: | 291.1 °C at 760 mmHg |
Density: | 1.21 g/cm3 |
MDL: | MFCD04114374 |
LogP: | 0.61250 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22546672 | 20120615 | Simple, fast and efficient synthesis of β-keto esters from the esters of heteroaryl compounds, its antimicrobial study and cytotoxicity towards various cancer cell lines | Bioorganic & medicinal chemistry letters |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.06914219 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 69.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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