magnesium carboxylato carbonate

C2MgO5 — CID 87890039

IUPACmagnesium carboxylato carbonate
SMILESO=C([O-])OC(=O)[O-].[Mg+2]
InChIInChI=1S/C2H2O5.Mg/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
InChIKeyBFDDHZDAVFUWCA-UHFFFAOYSA-L
MW128.32 g/mol
LogP-2.69
Rot. Bonds

About magnesium carboxylato carbonate

magnesium carboxylato carbonate (PubChem CID 87890039) has the molecular formula C2MgO5 and a molecular weight of 128.32 g/mol. Its IUPAC name is magnesium carboxylato carbonate.

Molecular Properties

Compound Namemagnesium carboxylato carbonate
PubChem CID87890039
Molecular FormulaC2MgO5
Molecular Weight128.32 g/mol
Exact Mass127.96
IUPAC Namemagnesium carboxylato carbonate
SMILESO=C([O-])OC(=O)[O-].[Mg+2]
InChIInChI=1S/C2H2O5.Mg/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
InChIKeyBFDDHZDAVFUWCA-UHFFFAOYSA-L
XLogP-2.69
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.32
LogP ≤ 5-2.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carboxylato carbonate;thorium(2+)
CID 21149383
carboxylato carbonate;bis(samarium(3+))
CID 160687962
carboxylato carbonate;iron(3+)
CID 172818813
carboxylatooxycarbonyl carbonate;bis(gadolinium(3+))
CID 170843196
cesium;potassium;carboxylatooxycarbonyl carbonate
CID 174165319
trisodium;carboxy carbonate;dihydrate
CID 140596091
dimagnesium;dicarbonate;hydrate
CID 157388040
calcium;ruthenium;carbonate
CID 87309849
magnesium;carbonate;pentahydrate
CID 22723706
magnesium;chromium(3+);carbonate
CID 159907532
diazanium;oxido carbonate
CID 22665386
magnesium;zinc;propanoate
CID 22462046

Frequently Asked Questions

What is the IUPAC name of magnesium carboxylato carbonate?
The IUPAC name of magnesium carboxylato carbonate (CID 87890039) is magnesium carboxylato carbonate.
What is the SMILES notation for magnesium carboxylato carbonate?
The canonical SMILES for magnesium carboxylato carbonate is O=C([O-])OC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium carboxylato carbonate?
The InChIKey is BFDDHZDAVFUWCA-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O5.Mg/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2.
What are the key properties of magnesium carboxylato carbonate?
magnesium carboxylato carbonate has a molecular weight of 128.32 g/mol, XLogP of -2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium carboxylato carbonate is sourced from PubChem (CID 87890039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).