Molecule

ID:108011

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀MgO₄
Molecular Mass
194.4676
Exact Mass
194.0429505
Charge
0
InChI
InChI=1S/2C4H6O2.Mg/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2
InChIKey
DZBOAIYHPIPCBP-UHFFFAOYSA-L
Canonic Smiles
CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].[Mg+2]
Isomeric Smiles
[Mg+2].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.850526
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.19176336
LogD (pH = 7.4)
-1.5789503
Log P
0.9284978
Molar Refractivity
32.4856
Polarizability
8.284419
Polar Surface Area
40.13
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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