magnesium;hydride;2-hydroperoxyacetic acid

C2H6MgO4 — CID 173304241

IUPACmagnesium;hydride;2-hydroperoxyacetic acid
SMILESO=C(O)COO.[H-].[H-].[Mg+2]
InChIInChI=1S/C2H4O4.Mg.2H/c3-2(4)1-6-5;;;/h5H,1H2,(H,3,4);;;/q;+2;2*-1
InChIKeyHMCFOQLJFNVTIU-UHFFFAOYSA-N
MW118.37 g/mol
LogP-0.60
Rot. Bonds2

About magnesium;hydride;2-hydroperoxyacetic acid

magnesium;hydride;2-hydroperoxyacetic acid (PubChem CID 173304241) has the molecular formula C2H6MgO4 and a molecular weight of 118.37 g/mol. Its IUPAC name is magnesium;hydride;2-hydroperoxyacetic acid.

Molecular Properties

Compound Namemagnesium;hydride;2-hydroperoxyacetic acid
PubChem CID173304241
Molecular FormulaC2H6MgO4
Molecular Weight118.37 g/mol
Exact Mass118.01
IUPAC Namemagnesium;hydride;2-hydroperoxyacetic acid
SMILESO=C(O)COO.[H-].[H-].[Mg+2]
InChIInChI=1S/C2H4O4.Mg.2H/c3-2(4)1-6-5;;;/h5H,1H2,(H,3,4);;;/q;+2;2*-1
InChIKeyHMCFOQLJFNVTIU-UHFFFAOYSA-N
XLogP-0.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.37
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-(carboxymethoxy)acetic acid;sulfane
CID 158807579
2-(carboxymethoxy)acetic acid;hydrochloride
CID 174705448
magnesium carboxymethylazanide
CID 139769517
2-(carboxymethylperoxy)acetic acid;ethene
CID 118878426
3-hydroperoxy-2-oxopropanoic acid
CID 87856186
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
CID 175866071
CID 175866071
2-methoxyacetic acid;silver
CID 158784523
2-[2-(carboxymethoxy)ethenoxy]acetic acid
CID 91328035
2-methoxyacetic acid;titanium
CID 174298740
3-(carboxymethoxy)-3-hydroxypropanoic acid
CID 173213514
disodium;hydride;2-(2-hydroxyacetyl)oxyacetic acid
CID 173165496

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2-hydroperoxyacetic acid?
The IUPAC name of magnesium;hydride;2-hydroperoxyacetic acid (CID 173304241) is magnesium;hydride;2-hydroperoxyacetic acid.
What is the SMILES notation for magnesium;hydride;2-hydroperoxyacetic acid?
The canonical SMILES for magnesium;hydride;2-hydroperoxyacetic acid is O=C(O)COO.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2-hydroperoxyacetic acid?
The InChIKey is HMCFOQLJFNVTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O4.Mg.2H/c3-2(4)1-6-5;;;/h5H,1H2,(H,3,4);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2-hydroperoxyacetic acid?
magnesium;hydride;2-hydroperoxyacetic acid has a molecular weight of 118.37 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2-hydroperoxyacetic acid is sourced from PubChem (CID 173304241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).