Molecule

ID:110238

General Information
Structure
MolImage
Molecular Formula
C₄H₄MgO₄
Molecular Mass
140.37716
Exact Mass
139.99600031
Charge
0
InChI
InChI=1S/C4H6O4.Mg/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2
InChIKey
GFKXPVFCUXHGEB-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)CCC(=O)[O-].[Mg+2]
Isomeric Smiles
[Mg+2].[O-]C(=O)CCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
3.5541666
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-2.5536554
LogD (pH = 7.4)
-5.4738803
Log P
-0.39848298
Molar Refractivity
45.2112
Polarizability
9.14473
Polar Surface Area
80.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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