magnesium naphthalene-2,6-dicarboxylate

C12H6MgO4 — CID 67200509

IUPACmagnesium naphthalene-2,6-dicarboxylate
SMILESO=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.[Mg+2]
InChIInChI=1S/C12H8O4.Mg/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;/h1-6H,(H,13,14)(H,15,16);/q;+2/p-2
InChIKeyYHGHSCAWRYQCTJ-UHFFFAOYSA-L
MW238.48 g/mol
LogP-0.81
Rot. Bonds2

About magnesium naphthalene-2,6-dicarboxylate

magnesium naphthalene-2,6-dicarboxylate (PubChem CID 67200509) has the molecular formula C12H6MgO4 and a molecular weight of 238.48 g/mol. Its IUPAC name is magnesium naphthalene-2,6-dicarboxylate.

Molecular Properties

Compound Namemagnesium naphthalene-2,6-dicarboxylate
PubChem CID67200509
Molecular FormulaC12H6MgO4
Molecular Weight238.48 g/mol
Exact Mass238.01
IUPAC Namemagnesium naphthalene-2,6-dicarboxylate
SMILESO=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.[Mg+2]
InChIInChI=1S/C12H8O4.Mg/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;/h1-6H,(H,13,14)(H,15,16);/q;+2/p-2
InChIKeyYHGHSCAWRYQCTJ-UHFFFAOYSA-L
XLogP-0.81
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.48
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))
CID 175019109
anthracene-2,6-dicarboxylate
CID 86309851
potassium naphthalene-2-carboxylate
CID 23664129
anthracene-2-carboxylate
CID 11160355
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)
CID 172907782
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
di(propan-2-yl)azanium;naphthalene-2-carboxylate
CID 21407073
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863

Frequently Asked Questions

What is the IUPAC name of magnesium naphthalene-2,6-dicarboxylate?
The IUPAC name of magnesium naphthalene-2,6-dicarboxylate (CID 67200509) is magnesium naphthalene-2,6-dicarboxylate.
What is the SMILES notation for magnesium naphthalene-2,6-dicarboxylate?
The canonical SMILES for magnesium naphthalene-2,6-dicarboxylate is O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.[Mg+2].
What is the InChIKey of magnesium naphthalene-2,6-dicarboxylate?
The InChIKey is YHGHSCAWRYQCTJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8O4.Mg/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;/h1-6H,(H,13,14)(H,15,16);/q;+2/p-2.
What are the key properties of magnesium naphthalene-2,6-dicarboxylate?
magnesium naphthalene-2,6-dicarboxylate has a molecular weight of 238.48 g/mol, XLogP of -0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium naphthalene-2,6-dicarboxylate is sourced from PubChem (CID 67200509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).