calcium;magnesium;hydride;propanoic acid

C3H10CaMgO2 — CID 173031104

IUPACcalcium;magnesium;hydride;propanoic acid
SMILESCCC(=O)O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/C3H6O2.Ca.Mg.4H/c1-2-3(4)5;;;;;;/h2H2,1H3,(H,4,5);;;;;;/q;2*+2;4*-1
InChIKeyYZKIGGUVKMRABI-UHFFFAOYSA-N
MW142.49 g/mol
LogP0.17
Rot. Bonds1

About calcium;magnesium;hydride;propanoic acid

calcium;magnesium;hydride;propanoic acid (PubChem CID 173031104) has the molecular formula C3H10CaMgO2 and a molecular weight of 142.49 g/mol. Its IUPAC name is calcium;magnesium;hydride;propanoic acid.

Molecular Properties

Compound Namecalcium;magnesium;hydride;propanoic acid
PubChem CID173031104
Molecular FormulaC3H10CaMgO2
Molecular Weight142.49 g/mol
Exact Mass142.02
IUPAC Namecalcium;magnesium;hydride;propanoic acid
SMILESCCC(=O)O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/C3H6O2.Ca.Mg.4H/c1-2-3(4)5;;;;;;/h2H2,1H3,(H,4,5);;;;;;/q;2*+2;4*-1
InChIKeyYZKIGGUVKMRABI-UHFFFAOYSA-N
XLogP0.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.49
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;hydride;propanoic acid?
The IUPAC name of calcium;magnesium;hydride;propanoic acid (CID 173031104) is calcium;magnesium;hydride;propanoic acid.
What is the SMILES notation for calcium;magnesium;hydride;propanoic acid?
The canonical SMILES for calcium;magnesium;hydride;propanoic acid is CCC(=O)O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of calcium;magnesium;hydride;propanoic acid?
The InChIKey is YZKIGGUVKMRABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Ca.Mg.4H/c1-2-3(4)5;;;;;;/h2H2,1H3,(H,4,5);;;;;;/q;2*+2;4*-1.
What are the key properties of calcium;magnesium;hydride;propanoic acid?
calcium;magnesium;hydride;propanoic acid has a molecular weight of 142.49 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;hydride;propanoic acid is sourced from PubChem (CID 173031104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).