magnesium tris(2-carboxyphenolate)

C21H15MgO9- — CID 54714197

IUPACmagnesium tris(2-carboxyphenolate)
SMILESO=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2]
InChIInChI=1S/3C7H6O3.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;/h3*1-4,8H,(H,9,10);/q;;;+2/p-3
InChIKeyDXVPEUBHIHGJBM-UHFFFAOYSA-K
MW435.65 g/mol
LogP0.99
Rot. Bonds3

About magnesium tris(2-carboxyphenolate)

magnesium tris(2-carboxyphenolate) (PubChem CID 54714197) has the molecular formula C21H15MgO9- and a molecular weight of 435.65 g/mol. Its IUPAC name is magnesium tris(2-carboxyphenolate).

Molecular Properties

Compound Namemagnesium tris(2-carboxyphenolate)
PubChem CID54714197
Molecular FormulaC21H15MgO9-
Molecular Weight435.65 g/mol
Exact Mass435.06
IUPAC Namemagnesium tris(2-carboxyphenolate)
SMILESO=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2]
InChIInChI=1S/3C7H6O3.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;/h3*1-4,8H,(H,9,10);/q;;;+2/p-3
InChIKeyDXVPEUBHIHGJBM-UHFFFAOYSA-K
XLogP0.99
TPSA181.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.65
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

dimagnesium;tetrakis(2-carboxyphenolate)
CID 158207180
magnesium bis(2-carboxyphenolate)
CID 54684589
magnesium;bis(2-carboxyphenolate);trihydrate
CID 172729284
triazanium;tris(2-carboxyphenolate)
CID 172802459
2-carboxyphenolate;gold(1+)
CID 54682314
copper bis(2-carboxyphenolate)
CID 54683201
dilithium bis(2-carboxyphenolate)
CID 54690284
dicalcium bis(2-carboxyphenolate)
CID 158572383
potassium 2-carboxyphenolate
CID 23689489
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 tris(2-carboxyphenolate)?
The IUPAC name of magnesium tris(2-carboxyphenolate) (CID 54714197) is magnesium tris(2-carboxyphenolate).
What is the SMILES notation for magnesium tris(2-carboxyphenolate)?
The canonical SMILES for magnesium tris(2-carboxyphenolate) is O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2].
What is the InChIKey of magnesium tris(2-carboxyphenolate)?
The InChIKey is DXVPEUBHIHGJBM-UHFFFAOYSA-K. The full InChI is InChI=1S/3C7H6O3.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;/h3*1-4,8H,(H,9,10);/q;;;+2/p-3.
What are the key properties of magnesium tris(2-carboxyphenolate)?
magnesium tris(2-carboxyphenolate) has a molecular weight of 435.65 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium tris(2-carboxyphenolate) is sourced from PubChem (CID 54714197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).