potassium 3-chloro-3-oxopropanoate

C3H2ClKO3 — CID 87888612

IUPACpotassium 3-chloro-3-oxopropanoate
SMILESO=C([O-])CC(=O)Cl.[K+]
InChIInChI=1S/C3H3ClO3.K/c4-2(5)1-3(6)7;/h1H2,(H,6,7);/q;+1/p-1
InChIKeyDMEXWUWPMCFFMA-UHFFFAOYSA-M
MW160.60 g/mol
LogP-4.10
Rot. Bonds2

About potassium 3-chloro-3-oxopropanoate

potassium 3-chloro-3-oxopropanoate (PubChem CID 87888612) has the molecular formula C3H2ClKO3 and a molecular weight of 160.60 g/mol. Its IUPAC name is potassium 3-chloro-3-oxopropanoate.

Molecular Properties

Compound Namepotassium 3-chloro-3-oxopropanoate
PubChem CID87888612
Molecular FormulaC3H2ClKO3
Molecular Weight160.60 g/mol
Exact Mass159.93
IUPAC Namepotassium 3-chloro-3-oxopropanoate
SMILESO=C([O-])CC(=O)Cl.[K+]
InChIInChI=1S/C3H3ClO3.K/c4-2(5)1-3(6)7;/h1H2,(H,6,7);/q;+1/p-1
InChIKeyDMEXWUWPMCFFMA-UHFFFAOYSA-M
XLogP-4.10
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 5-4.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(praseodymium(3+));tris(propanedioate)
CID 159601608
bis(neodymium(3+));tris(propanedioate)
CID 159312291
hydron;propanedioate
CID 23511544
iron(2+);propanedioate
CID 14944028
3-oxopentanedioyl dichloride
CID 134894189
azanium;iron(3+);bis(propanedioate)
CID 160868163
copper;propanedioate;hydrate
CID 155143676
2-methylidenebutanedioate;bis(rubidium(1+))
CID 18408060
butanedioate;propanedioate
CID 18423363
potassium;sodium;bis(2-chloroacetate)
CID 157286926
diazanium;2-methylidenebutanedioate;hydrate
CID 141442888
dipotassium bis(2-hydroxyacetate)
CID 140653272

Frequently Asked Questions

What is the IUPAC name of potassium 3-chloro-3-oxopropanoate?
The IUPAC name of potassium 3-chloro-3-oxopropanoate (CID 87888612) is potassium 3-chloro-3-oxopropanoate.
What is the SMILES notation for potassium 3-chloro-3-oxopropanoate?
The canonical SMILES for potassium 3-chloro-3-oxopropanoate is O=C([O-])CC(=O)Cl.[K+].
What is the InChIKey of potassium 3-chloro-3-oxopropanoate?
The InChIKey is DMEXWUWPMCFFMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3ClO3.K/c4-2(5)1-3(6)7;/h1H2,(H,6,7);/q;+1/p-1.
What are the key properties of potassium 3-chloro-3-oxopropanoate?
potassium 3-chloro-3-oxopropanoate has a molecular weight of 160.60 g/mol, XLogP of -4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-chloro-3-oxopropanoate is sourced from PubChem (CID 87888612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).