magnesium;carbonic acid;hydrate

CH4MgO4+2 — CID 169410157

IUPACmagnesium;carbonic acid;hydrate
SMILESO.O=C(O)O.[Mg+2]
InChIInChI=1S/CH2O3.Mg.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;
InChIKeyOUHCLAKJJGMPSW-UHFFFAOYSA-N
MW104.34 g/mol
LogP-0.98
Rot. Bonds

About magnesium;carbonic acid;hydrate

magnesium;carbonic acid;hydrate (PubChem CID 169410157) has the molecular formula CH4MgO4+2 and a molecular weight of 104.34 g/mol. Its IUPAC name is magnesium;carbonic acid;hydrate.

Molecular Properties

Compound Namemagnesium;carbonic acid;hydrate
PubChem CID169410157
Molecular FormulaCH4MgO4+2
Molecular Weight104.34 g/mol
Exact Mass103.99
IUPAC Namemagnesium;carbonic acid;hydrate
SMILESO.O=C(O)O.[Mg+2]
InChIInChI=1S/CH2O3.Mg.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;
InChIKeyOUHCLAKJJGMPSW-UHFFFAOYSA-N
XLogP-0.98
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.34
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of magnesium;carbonic acid;hydrate?
The IUPAC name of magnesium;carbonic acid;hydrate (CID 169410157) is magnesium;carbonic acid;hydrate.
What is the SMILES notation for magnesium;carbonic acid;hydrate?
The canonical SMILES for magnesium;carbonic acid;hydrate is O.O=C(O)O.[Mg+2].
What is the InChIKey of magnesium;carbonic acid;hydrate?
The InChIKey is OUHCLAKJJGMPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.Mg.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;.
What are the key properties of magnesium;carbonic acid;hydrate?
magnesium;carbonic acid;hydrate has a molecular weight of 104.34 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbonic acid;hydrate is sourced from PubChem (CID 169410157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).