magnesium;sulfuric acid;carbonate

CH2MgO7S — CID 174916086

IUPACmagnesium;sulfuric acid;carbonate
SMILESO=C([O-])[O-].O=S(=O)(O)O.[Mg+2]
InChIInChI=1S/CH2O3.Mg.H2O4S/c2-1(3)4;;1-5(2,3)4/h(H2,2,3,4);;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyQZORYBJRCCTQBP-UHFFFAOYSA-L
MW182.39 g/mol
LogP-3.48
Rot. Bonds

About magnesium;sulfuric acid;carbonate

magnesium;sulfuric acid;carbonate (PubChem CID 174916086) has the molecular formula CH2MgO7S and a molecular weight of 182.39 g/mol. Its IUPAC name is magnesium;sulfuric acid;carbonate.

Molecular Properties

Compound Namemagnesium;sulfuric acid;carbonate
PubChem CID174916086
Molecular FormulaCH2MgO7S
Molecular Weight182.39 g/mol
Exact Mass181.94
IUPAC Namemagnesium;sulfuric acid;carbonate
SMILESO=C([O-])[O-].O=S(=O)(O)O.[Mg+2]
InChIInChI=1S/CH2O3.Mg.H2O4S/c2-1(3)4;;1-5(2,3)4/h(H2,2,3,4);;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyQZORYBJRCCTQBP-UHFFFAOYSA-L
XLogP-3.48
TPSA137.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.39
LogP ≤ 5-3.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;sulfuric acid;carbonate?
The IUPAC name of magnesium;sulfuric acid;carbonate (CID 174916086) is magnesium;sulfuric acid;carbonate.
What is the SMILES notation for magnesium;sulfuric acid;carbonate?
The canonical SMILES for magnesium;sulfuric acid;carbonate is O=C([O-])[O-].O=S(=O)(O)O.[Mg+2].
What is the InChIKey of magnesium;sulfuric acid;carbonate?
The InChIKey is QZORYBJRCCTQBP-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.Mg.H2O4S/c2-1(3)4;;1-5(2,3)4/h(H2,2,3,4);;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of magnesium;sulfuric acid;carbonate?
magnesium;sulfuric acid;carbonate has a molecular weight of 182.39 g/mol, XLogP of -3.48, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;sulfuric acid;carbonate is sourced from PubChem (CID 174916086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).