| CAS Number | 1311319-53-5 |
| Catalog Number | AG01AHT4 |
| Chemical Name | Potassium 3-ethoxy-3-oxo-1-(pyridin-4-yl)prop-1-en-2-olate |
| IUPAC Name | potassium;3-ethoxy-3-oxo-1-pyridin-4-ylprop-1-en-2-olate |
| InChI | InChI=1S/C10H11NO3.K/c1-2-14-10(13)9(12)7-8-3-5-11-6-4-8;/h3-7,12H,2H2,1H3;/q;+1/p-1 |
| InChI Key | ZBYJNAVNVNOYAX-UHFFFAOYSA-M |
| MDL Number | MFCD18785587 |
| Molecular Formula | C10H10KNO3 |
| Molecular Weight | 231.2896 |
| SMILES | [K+].CCOC(C([O-])=CC1=CC=NC=C1)=O |
| Synonyms | potassium 3-ethoxy-3-oxo-1-(pyridin-4-yl)prop-1-en-2-olate,
1311319-53-5,
MCULE-7317331198,
NE16357,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.292g/mol |
| Monoisotopic Mass | 231.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
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Certificate of Analysis
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