dimagnesium;tetrakis(2-carboxyphenolate)

C28H20Mg2O12 — CID 158207180

IUPACdimagnesium;tetrakis(2-carboxyphenolate)
SMILESO=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2].[Mg+2]
InChIInChI=1S/4C7H6O3.2Mg/c4*8-6-4-2-1-3-5(6)7(9)10;;/h4*1-4,8H,(H,9,10);;/q;;;;2*+2/p-4
InChIKeyGBQGDMMIGOKMDU-UHFFFAOYSA-J
MW597.07 g/mol
LogP1.07
Rot. Bonds4

About dimagnesium;tetrakis(2-carboxyphenolate)

dimagnesium;tetrakis(2-carboxyphenolate) (PubChem CID 158207180) has the molecular formula C28H20Mg2O12 and a molecular weight of 597.07 g/mol. Its IUPAC name is dimagnesium;tetrakis(2-carboxyphenolate).

Molecular Properties

Compound Namedimagnesium;tetrakis(2-carboxyphenolate)
PubChem CID158207180
Molecular FormulaC28H20Mg2O12
Molecular Weight597.07 g/mol
Exact Mass596.07
IUPAC Namedimagnesium;tetrakis(2-carboxyphenolate)
SMILESO=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2].[Mg+2]
InChIInChI=1S/4C7H6O3.2Mg/c4*8-6-4-2-1-3-5(6)7(9)10;;/h4*1-4,8H,(H,9,10);;/q;;;;2*+2/p-4
InChIKeyGBQGDMMIGOKMDU-UHFFFAOYSA-J
XLogP1.07
TPSA241.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.07
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

magnesium tris(2-carboxyphenolate)
CID 54714197
magnesium bis(2-carboxyphenolate)
CID 54684589
magnesium;bis(2-carboxyphenolate);trihydrate
CID 172729284
triazanium;tris(2-carboxyphenolate)
CID 172802459
copper bis(2-carboxyphenolate)
CID 54683201
2-carboxyphenolate;gold(1+)
CID 54682314
potassium 2-carboxyphenolate
CID 23689489
dicalcium bis(2-carboxyphenolate)
CID 158572383
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 dimagnesium;tetrakis(2-carboxyphenolate)?
The IUPAC name of dimagnesium;tetrakis(2-carboxyphenolate) (CID 158207180) is dimagnesium;tetrakis(2-carboxyphenolate).
What is the SMILES notation for dimagnesium;tetrakis(2-carboxyphenolate)?
The canonical SMILES for dimagnesium;tetrakis(2-carboxyphenolate) is O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;tetrakis(2-carboxyphenolate)?
The InChIKey is GBQGDMMIGOKMDU-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H6O3.2Mg/c4*8-6-4-2-1-3-5(6)7(9)10;;/h4*1-4,8H,(H,9,10);;/q;;;;2*+2/p-4.
What are the key properties of dimagnesium;tetrakis(2-carboxyphenolate)?
dimagnesium;tetrakis(2-carboxyphenolate) has a molecular weight of 597.07 g/mol, XLogP of 1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;tetrakis(2-carboxyphenolate) is sourced from PubChem (CID 158207180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).