potassium 3-hydroxy-3-oxopropanoate

C3H3KO4 — CID 23673630

IUPACpotassium 3-hydroxy-3-oxopropanoate
SMILESO=C([O-])CC(=O)O.[K+]
InChIInChI=1S/C3H4O4.K/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);/q;+1/p-1
InChIKeyLBYLQJKRTJQVDQ-UHFFFAOYSA-M
MW142.15 g/mol
LogP-4.78
Rot. Bonds2

About potassium 3-hydroxy-3-oxopropanoate

potassium 3-hydroxy-3-oxopropanoate (PubChem CID 23673630) has the molecular formula C3H3KO4 and a molecular weight of 142.15 g/mol. Its IUPAC name is potassium 3-hydroxy-3-oxopropanoate.

Molecular Properties

Compound Namepotassium 3-hydroxy-3-oxopropanoate
PubChem CID23673630
Molecular FormulaC3H3KO4
Molecular Weight142.15 g/mol
Exact Mass141.97
IUPAC Namepotassium 3-hydroxy-3-oxopropanoate
SMILESO=C([O-])CC(=O)O.[K+]
InChIInChI=1S/C3H4O4.K/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);/q;+1/p-1
InChIKeyLBYLQJKRTJQVDQ-UHFFFAOYSA-M
XLogP-4.78
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-4.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Malonic Acid
CID 867
2-Fluoropropanedioic acid
CID 18365
(2H2)Malonic (2H2)acid
CID 123087
malonic acid, fluoro-, potassium salt
CID 23691016
(1,3-~13~C_2_)Propanedioic acid
CID 16213460
Malonic acid-2-13C
CID 11332425
Malonic Acid-1,2,3-13C3
CID 16213461
Malonic acid, monosodium salt
CID 23719500
Ammonium hydrogen malonate
CID 129664901
Propanedioic acid, ion(1-)
CID 3748644
Trihydroxymethylacetic acid
CID 18764728
3-Hydroperoxy-3-oxopropanoic acid
CID 19818022

Frequently Asked Questions

What is the IUPAC name of potassium 3-hydroxy-3-oxopropanoate?
The IUPAC name of potassium 3-hydroxy-3-oxopropanoate (CID 23673630) is potassium 3-hydroxy-3-oxopropanoate.
What is the SMILES notation for potassium 3-hydroxy-3-oxopropanoate?
The canonical SMILES for potassium 3-hydroxy-3-oxopropanoate is O=C([O-])CC(=O)O.[K+].
What is the InChIKey of potassium 3-hydroxy-3-oxopropanoate?
The InChIKey is LBYLQJKRTJQVDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4O4.K/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);/q;+1/p-1.
What are the key properties of potassium 3-hydroxy-3-oxopropanoate?
potassium 3-hydroxy-3-oxopropanoate has a molecular weight of 142.15 g/mol, XLogP of -4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-hydroxy-3-oxopropanoate is sourced from PubChem (CID 23673630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).