magnesium;3-hydroxy-3-oxopropanoate;hydroxide

C3H4MgO5 — CID 72539803

IUPACmagnesium;3-hydroxy-3-oxopropanoate;hydroxide
SMILESO=C([O-])CC(=O)O.[Mg+2].[OH-]
InChIInChI=1S/C3H4O4.Mg.H2O/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;1H2/q;+2;/p-2
InChIKeyGMAYPRQAUVGJLE-UHFFFAOYSA-L
MW144.36 g/mol
LogP-2.35
Rot. Bonds2

About magnesium;3-hydroxy-3-oxopropanoate;hydroxide

magnesium;3-hydroxy-3-oxopropanoate;hydroxide (PubChem CID 72539803) has the molecular formula C3H4MgO5 and a molecular weight of 144.36 g/mol. Its IUPAC name is magnesium;3-hydroxy-3-oxopropanoate;hydroxide.

Molecular Properties

Compound Namemagnesium;3-hydroxy-3-oxopropanoate;hydroxide
PubChem CID72539803
Molecular FormulaC3H4MgO5
Molecular Weight144.36 g/mol
Exact Mass143.99
IUPAC Namemagnesium;3-hydroxy-3-oxopropanoate;hydroxide
SMILESO=C([O-])CC(=O)O.[Mg+2].[OH-]
InChIInChI=1S/C3H4O4.Mg.H2O/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;1H2/q;+2;/p-2
InChIKeyGMAYPRQAUVGJLE-UHFFFAOYSA-L
XLogP-2.35
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.36
LogP ≤ 5-2.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 87073401

Frequently Asked Questions

What is the IUPAC name of magnesium;3-hydroxy-3-oxopropanoate;hydroxide?
The IUPAC name of magnesium;3-hydroxy-3-oxopropanoate;hydroxide (CID 72539803) is magnesium;3-hydroxy-3-oxopropanoate;hydroxide.
What is the SMILES notation for magnesium;3-hydroxy-3-oxopropanoate;hydroxide?
The canonical SMILES for magnesium;3-hydroxy-3-oxopropanoate;hydroxide is O=C([O-])CC(=O)O.[Mg+2].[OH-].
What is the InChIKey of magnesium;3-hydroxy-3-oxopropanoate;hydroxide?
The InChIKey is GMAYPRQAUVGJLE-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4O4.Mg.H2O/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;1H2/q;+2;/p-2.
What are the key properties of magnesium;3-hydroxy-3-oxopropanoate;hydroxide?
magnesium;3-hydroxy-3-oxopropanoate;hydroxide has a molecular weight of 144.36 g/mol, XLogP of -2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-hydroxy-3-oxopropanoate;hydroxide is sourced from PubChem (CID 72539803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).