Potassium 3-ethoxy-3-oxo-1-(pyridin-4-yl)prop-1-en-2-olate
Basic information
- CAS
1311319-53-5- Standard SMILES
CCOC(=O)/C([O-])=C/c1ccncc1.[K+]- InChIKey
ZBYJNAVNVNOYAX-VILQZVERSA-M- Molecular formula
- C10H10KNO3
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.02977467
Names & identifiers
- Preferred name
- Potassium 3-ethoxy-3-oxo-1-(pyridin-4-yl)prop-1-en-2-olate
- IUPAC
- potassium (Z)-3-ethoxy-3-oxo-1-pyridin-4-ylprop-1-en-2-olate
Names & synonyms
potassium 3-ethoxy-3-oxo-1-(pyridin-4-yl)prop-1-en-2-olate1311319-53-5RefChem:867596816-125-6potassium;(Z)-3-ethoxy-3-oxo-1-pyridin-4-ylprop-1-en-2-olateCS-0260746G25243potassium3-ethoxy-3-oxo-1-(pyridin-4-yl)prop-1-en-2-olate
Database identifiers
- CAS
1311319-53-5- PubChem CID
- 54592986
- EC Number
- 816-125-6
Properties
Computed structural properties
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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