magnesium;sodium;hydrogen carbonate;dichloride

CHCl2MgNaO3 — CID 175295989

IUPACmagnesium;sodium;hydrogen carbonate;dichloride
SMILESO=C([O-])O.[Cl-].[Cl-].[Mg+2].[Na+]
InChIInChI=1S/CH2O3.2ClH.Mg.Na/c2-1(3)4;;;;/h(H2,2,3,4);2*1H;;/q;;;+2;+1/p-3
InChIKeyNNJRZRIOIYAFTF-UHFFFAOYSA-K
MW179.22 g/mol
LogP-10.48
Rot. Bonds

About magnesium;sodium;hydrogen carbonate;dichloride

magnesium;sodium;hydrogen carbonate;dichloride (PubChem CID 175295989) has the molecular formula CHCl2MgNaO3 and a molecular weight of 179.22 g/mol. Its IUPAC name is magnesium;sodium;hydrogen carbonate;dichloride.

Molecular Properties

Compound Namemagnesium;sodium;hydrogen carbonate;dichloride
PubChem CID175295989
Molecular FormulaCHCl2MgNaO3
Molecular Weight179.22 g/mol
Exact Mass177.91
IUPAC Namemagnesium;sodium;hydrogen carbonate;dichloride
SMILESO=C([O-])O.[Cl-].[Cl-].[Mg+2].[Na+]
InChIInChI=1S/CH2O3.2ClH.Mg.Na/c2-1(3)4;;;;/h(H2,2,3,4);2*1H;;/q;;;+2;+1/p-3
InChIKeyNNJRZRIOIYAFTF-UHFFFAOYSA-K
XLogP-10.48
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-10.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of magnesium;sodium;hydrogen carbonate;dichloride?
The IUPAC name of magnesium;sodium;hydrogen carbonate;dichloride (CID 175295989) is magnesium;sodium;hydrogen carbonate;dichloride.
What is the SMILES notation for magnesium;sodium;hydrogen carbonate;dichloride?
The canonical SMILES for magnesium;sodium;hydrogen carbonate;dichloride is O=C([O-])O.[Cl-].[Cl-].[Mg+2].[Na+].
What is the InChIKey of magnesium;sodium;hydrogen carbonate;dichloride?
The InChIKey is NNJRZRIOIYAFTF-UHFFFAOYSA-K. The full InChI is InChI=1S/CH2O3.2ClH.Mg.Na/c2-1(3)4;;;;/h(H2,2,3,4);2*1H;;/q;;;+2;+1/p-3.
What are the key properties of magnesium;sodium;hydrogen carbonate;dichloride?
magnesium;sodium;hydrogen carbonate;dichloride has a molecular weight of 179.22 g/mol, XLogP of -10.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;sodium;hydrogen carbonate;dichloride is sourced from PubChem (CID 175295989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).