magnesium;bis(2-carboxyphenolate);trihydrate

C14H16MgO9 — CID 172729284

IUPACmagnesium;bis(2-carboxyphenolate);trihydrate
SMILESO.O.O.O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2]
InChIInChI=1S/2C7H6O3.Mg.3H2O/c2*8-6-4-2-1-3-5(6)7(9)10;;;;/h2*1-4,8H,(H,9,10);;3*1H2/q;;+2;;;/p-2
InChIKeyHOOOFZIYDPCEIA-UHFFFAOYSA-L
MW352.58 g/mol
LogP-1.94
Rot. Bonds2

About magnesium;bis(2-carboxyphenolate);trihydrate

magnesium;bis(2-carboxyphenolate);trihydrate (PubChem CID 172729284) has the molecular formula C14H16MgO9 and a molecular weight of 352.58 g/mol. Its IUPAC name is magnesium;bis(2-carboxyphenolate);trihydrate.

Molecular Properties

Compound Namemagnesium;bis(2-carboxyphenolate);trihydrate
PubChem CID172729284
Molecular FormulaC14H16MgO9
Molecular Weight352.58 g/mol
Exact Mass352.06
IUPAC Namemagnesium;bis(2-carboxyphenolate);trihydrate
SMILESO.O.O.O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2]
InChIInChI=1S/2C7H6O3.Mg.3H2O/c2*8-6-4-2-1-3-5(6)7(9)10;;;;/h2*1-4,8H,(H,9,10);;3*1H2/q;;+2;;;/p-2
InChIKeyHOOOFZIYDPCEIA-UHFFFAOYSA-L
XLogP-1.94
TPSA215.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.58
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze magnesium;bis(2-carboxyphenolate);trihydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimagnesium;tetrakis(2-carboxyphenolate)
CID 158207180
magnesium tris(2-carboxyphenolate)
CID 54714197
magnesium bis(2-carboxyphenolate)
CID 54684589
potassium 2-carboxyphenolate
CID 23689489
2-carboxyphenolate;gold(1+)
CID 54682314
copper bis(2-carboxyphenolate)
CID 54683201
dicalcium bis(2-carboxyphenolate)
CID 158572383
triazanium;tris(2-carboxyphenolate)
CID 172802459
dilithium bis(2-carboxyphenolate)
CID 54690284
2-carboxyphenolate carbonate
CID 54676053
diazanium;bis(2-carboxyphenolate);oxovanadium
CID 173457908
2-carboxyphenolate;ethane;methane
CID 158005371

Frequently Asked Questions

What is the IUPAC name of magnesium;bis(2-carboxyphenolate);trihydrate?
The IUPAC name of magnesium;bis(2-carboxyphenolate);trihydrate (CID 172729284) is magnesium;bis(2-carboxyphenolate);trihydrate.
What is the SMILES notation for magnesium;bis(2-carboxyphenolate);trihydrate?
The canonical SMILES for magnesium;bis(2-carboxyphenolate);trihydrate is O.O.O.O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2].
What is the InChIKey of magnesium;bis(2-carboxyphenolate);trihydrate?
The InChIKey is HOOOFZIYDPCEIA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O3.Mg.3H2O/c2*8-6-4-2-1-3-5(6)7(9)10;;;;/h2*1-4,8H,(H,9,10);;3*1H2/q;;+2;;;/p-2.
What are the key properties of magnesium;bis(2-carboxyphenolate);trihydrate?
magnesium;bis(2-carboxyphenolate);trihydrate has a molecular weight of 352.58 g/mol, XLogP of -1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(2-carboxyphenolate);trihydrate is sourced from PubChem (CID 172729284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).