magnesium;hydrogen carbonate;methanolate

C2H4MgO4 — CID 12541340

IUPACmagnesium;hydrogen carbonate;methanolate
SMILESC[O-].O=C([O-])O.[Mg+2]
InChIInChI=1S/CH2O3.CH3O.Mg/c2-1(3)4;1-2;/h(H2,2,3,4);1H3;/q;-1;+2/p-1
InChIKeyHCIGXXOHVBLYNH-UHFFFAOYSA-M
MW116.35 g/mol
LogP-2.52
Rot. Bonds

About magnesium;hydrogen carbonate;methanolate

magnesium;hydrogen carbonate;methanolate (PubChem CID 12541340) has the molecular formula C2H4MgO4 and a molecular weight of 116.35 g/mol. Its IUPAC name is magnesium;hydrogen carbonate;methanolate.

Molecular Properties

Compound Namemagnesium;hydrogen carbonate;methanolate
PubChem CID12541340
Molecular FormulaC2H4MgO4
Molecular Weight116.35 g/mol
Exact Mass116.00
IUPAC Namemagnesium;hydrogen carbonate;methanolate
SMILESC[O-].O=C([O-])O.[Mg+2]
InChIInChI=1S/CH2O3.CH3O.Mg/c2-1(3)4;1-2;/h(H2,2,3,4);1H3;/q;-1;+2/p-1
InChIKeyHCIGXXOHVBLYNH-UHFFFAOYSA-M
XLogP-2.52
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.35
LogP ≤ 5-2.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze magnesium;hydrogen carbonate;methanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;hydrogen carbonate;methanolate?
The IUPAC name of magnesium;hydrogen carbonate;methanolate (CID 12541340) is magnesium;hydrogen carbonate;methanolate.
What is the SMILES notation for magnesium;hydrogen carbonate;methanolate?
The canonical SMILES for magnesium;hydrogen carbonate;methanolate is C[O-].O=C([O-])O.[Mg+2].
What is the InChIKey of magnesium;hydrogen carbonate;methanolate?
The InChIKey is HCIGXXOHVBLYNH-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2O3.CH3O.Mg/c2-1(3)4;1-2;/h(H2,2,3,4);1H3;/q;-1;+2/p-1.
What are the key properties of magnesium;hydrogen carbonate;methanolate?
magnesium;hydrogen carbonate;methanolate has a molecular weight of 116.35 g/mol, XLogP of -2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydrogen carbonate;methanolate is sourced from PubChem (CID 12541340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).