magnesium bis(2-carboxyphenolate)

C14H10MgO6 — CID 54684589

IUPACmagnesium bis(2-carboxyphenolate)
SMILESO=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2]
InChIInChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2
InChIKeyMQHWFIOJQSCFNM-UHFFFAOYSA-L
MW298.53 g/mol
LogP0.54
Rot. Bonds2

About magnesium bis(2-carboxyphenolate)

magnesium bis(2-carboxyphenolate) (PubChem CID 54684589) has the molecular formula C14H10MgO6 and a molecular weight of 298.53 g/mol. Its IUPAC name is magnesium bis(2-carboxyphenolate).

Molecular Properties

Compound Namemagnesium bis(2-carboxyphenolate)
PubChem CID54684589
Molecular FormulaC14H10MgO6
Molecular Weight298.53 g/mol
Exact Mass298.03
IUPAC Namemagnesium bis(2-carboxyphenolate)
SMILESO=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2]
InChIInChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2
InChIKeyMQHWFIOJQSCFNM-UHFFFAOYSA-L
XLogP0.54
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.53
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimagnesium;tetrakis(2-carboxyphenolate)
CID 158207180
magnesium tris(2-carboxyphenolate)
CID 54714197
magnesium;bis(2-carboxyphenolate);trihydrate
CID 172729284
triazanium;tris(2-carboxyphenolate)
CID 172802459
dilithium bis(2-carboxyphenolate)
CID 54690284
2-carboxyphenolate;gold(1+)
CID 54682314
copper bis(2-carboxyphenolate)
CID 54683201
potassium 2-carboxyphenolate
CID 23689489
dicalcium bis(2-carboxyphenolate)
CID 158572383
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)?
The IUPAC name of magnesium bis(2-carboxyphenolate) (CID 54684589) is magnesium bis(2-carboxyphenolate).
What is the SMILES notation for magnesium bis(2-carboxyphenolate)?
The canonical SMILES for magnesium bis(2-carboxyphenolate) is O=C(O)c1ccccc1[O-].O=C(O)c1ccccc1[O-].[Mg+2].
What is the InChIKey of magnesium bis(2-carboxyphenolate)?
The InChIKey is MQHWFIOJQSCFNM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2.
What are the key properties of magnesium bis(2-carboxyphenolate)?
magnesium bis(2-carboxyphenolate) has a molecular weight of 298.53 g/mol, XLogP of 0.54, 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) is sourced from PubChem (CID 54684589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).