magnesium;bis(barium(2+));dicarboxy carbonate;hydride

C3H8Ba2MgO7 — CID 174349687

IUPACmagnesium;bis(barium(2+));dicarboxy carbonate;hydride
SMILESO=C(O)OC(=O)OC(=O)O.[Ba+2].[Ba+2].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/C3H2O7.2Ba.Mg.6H/c4-1(5)9-3(8)10-2(6)7;;;;;;;;;/h(H,4,5)(H,6,7);;;;;;;;;/q;3*+2;6*-1
InChIKeyZUXDAPZXVHVXDD-UHFFFAOYSA-N
MW455.05 g/mol
LogP0.03
Rot. Bonds

About magnesium;bis(barium(2+));dicarboxy carbonate;hydride

magnesium;bis(barium(2+));dicarboxy carbonate;hydride (PubChem CID 174349687) has the molecular formula C3H8Ba2MgO7 and a molecular weight of 455.05 g/mol. Its IUPAC name is magnesium;bis(barium(2+));dicarboxy carbonate;hydride.

Molecular Properties

Compound Namemagnesium;bis(barium(2+));dicarboxy carbonate;hydride
PubChem CID174349687
Molecular FormulaC3H8Ba2MgO7
Molecular Weight455.05 g/mol
Exact Mass455.82
IUPAC Namemagnesium;bis(barium(2+));dicarboxy carbonate;hydride
SMILESO=C(O)OC(=O)OC(=O)O.[Ba+2].[Ba+2].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/C3H2O7.2Ba.Mg.6H/c4-1(5)9-3(8)10-2(6)7;;;;;;;;;/h(H,4,5)(H,6,7);;;;;;;;;/q;3*+2;6*-1
InChIKeyZUXDAPZXVHVXDD-UHFFFAOYSA-N
XLogP0.03
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.05
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dicarboxy carbonate
CID 18671322
disodium;copper;dicarboxy carbonate;hydride
CID 175456993
dicarboxy carbonate;manganese
CID 174775106
azane;dicarboxy carbonate;zinc
CID 174882061
carboxy carboxyoxycarbonyl carbonate;hafnium;tantalum
CID 175230414
dicarboxy carbonate;phosphoric acid
CID 160573536
dicalcium;carboxy hydrogen carbonate;hydride
CID 174530537
magnesium;amino carboxy carbonate;difluoride
CID 173150021
carboxy hydrogen carbonate;hydrochloride
CID 141485807
dicalcium;dicarboxy oxalate;hydride
CID 173334486
adamantane;carboxy hydrogen carbonate
CID 87605200
disodium;carboxy acetate;hydride
CID 173364721

Frequently Asked Questions

What is the IUPAC name of magnesium;bis(barium(2+));dicarboxy carbonate;hydride?
The IUPAC name of magnesium;bis(barium(2+));dicarboxy carbonate;hydride (CID 174349687) is magnesium;bis(barium(2+));dicarboxy carbonate;hydride.
What is the SMILES notation for magnesium;bis(barium(2+));dicarboxy carbonate;hydride?
The canonical SMILES for magnesium;bis(barium(2+));dicarboxy carbonate;hydride is O=C(O)OC(=O)OC(=O)O.[Ba+2].[Ba+2].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;bis(barium(2+));dicarboxy carbonate;hydride?
The InChIKey is ZUXDAPZXVHVXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O7.2Ba.Mg.6H/c4-1(5)9-3(8)10-2(6)7;;;;;;;;;/h(H,4,5)(H,6,7);;;;;;;;;/q;3*+2;6*-1.
What are the key properties of magnesium;bis(barium(2+));dicarboxy carbonate;hydride?
magnesium;bis(barium(2+));dicarboxy carbonate;hydride has a molecular weight of 455.05 g/mol, XLogP of 0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(barium(2+));dicarboxy carbonate;hydride is sourced from PubChem (CID 174349687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).