Ethyl picolinoylacetate - CAS 26510-52-1
Catalog: |
BB019308 |
Product Name: |
Ethyl picolinoylacetate |
CAS: |
26510-52-1 |
Synonyms: |
3-oxo-3-(2-pyridinyl)propanoic acid ethyl ester; ethyl 3-oxo-3-pyridin-2-ylpropanoate |
IUPAC Name: | ethyl 3-oxo-3-pyridin-2-ylpropanoate |
Description: | Ethyl picolinoylacetate (CAS# 26510-52-1) is a useful research chemical. |
Molecular Weight: | 193.20 |
Molecular Formula: | C10H11NO3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC=CC=N1 |
InChI: | InChI=1S/C10H11NO3/c1-2-14-10(13)7-9(12)8-5-3-4-6-11-8/h3-6H,2,7H2,1H3 |
InChI Key: | FQHXWZMJALFSJJ-UHFFFAOYSA-N |
Boiling Point: | 100-104 °C (0.3 mmHg) |
Density: | 1.164 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00094022 |
LogP: | 1.21750 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112979713-A | Compound, light-emitting layer guest material, organic electroluminescent device and display device | 20210208 |
CN-111004169-A | Synthesis method and application of polysubstituted pyridine derivative | 20191226 |
WO-2021119081-A1 | Hepatitis b capsid assembly modulators | 20191210 |
CN-112778311-A | Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof | 20191101 |
US-2020332321-A1 | Engineered transaminase polypeptides and uses thereof | 20171226 |
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: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.07389321 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 56.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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