trimagnesium bis(benzene-1,2,3-tricarboxylate)

C18H6Mg3O12 — CID 67068179

IUPACtrimagnesium bis(benzene-1,2,3-tricarboxylate)
SMILESO=C([O-])c1cccc(C(=O)[O-])c1C(=O)[O-].O=C([O-])c1cccc(C(=O)[O-])c1C(=O)[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2C9H6O6.3Mg/c2*10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;;;/h2*1-3H,(H,10,11)(H,12,13)(H,14,15);;;/q;;3*+2/p-6
InChIKeyZRDBZUCODTYDBU-UHFFFAOYSA-H
MW487.15 g/mol
LogP-7.59
Rot. Bonds6

About trimagnesium bis(benzene-1,2,3-tricarboxylate)

trimagnesium bis(benzene-1,2,3-tricarboxylate) (PubChem CID 67068179) has the molecular formula C18H6Mg3O12 and a molecular weight of 487.15 g/mol. Its IUPAC name is trimagnesium bis(benzene-1,2,3-tricarboxylate).

Molecular Properties

Compound Nametrimagnesium bis(benzene-1,2,3-tricarboxylate)
PubChem CID67068179
Molecular FormulaC18H6Mg3O12
Molecular Weight487.15 g/mol
Exact Mass485.94
IUPAC Nametrimagnesium bis(benzene-1,2,3-tricarboxylate)
SMILESO=C([O-])c1cccc(C(=O)[O-])c1C(=O)[O-].O=C([O-])c1cccc(C(=O)[O-])c1C(=O)[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2C9H6O6.3Mg/c2*10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;;;/h2*1-3H,(H,10,11)(H,12,13)(H,14,15);;;/q;;3*+2/p-6
InChIKeyZRDBZUCODTYDBU-UHFFFAOYSA-H
XLogP-7.59
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.15
LogP ≤ 5-7.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

benzene-1,2,3-tricarboxylate;tris(tetraethylazanium)
CID 171478300
trimagnesium;phthalate
CID 142758668
tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate
CID 160940580
tetraazanium;benzene-1,2,3,4-tetracarboxylate
CID 69282657
sodium 2,3-dicarboxybenzoate
CID 166682302
dilithium;3-phenylphthalate
CID 130387255
triazanium;3-sulfonatophthalate
CID 172692318
tetrakis(3-sulfophthalate);bis(titanium(4+))
CID 162095453
barium(2+);3-phenylphthalate
CID 141391844
lead(2+) dihydride;phthalate
CID 155293254
disilver;phthalate
CID 21449237
pentakis(lead(2+));phthalate
CID 173427098

Frequently Asked Questions

What is the IUPAC name of trimagnesium bis(benzene-1,2,3-tricarboxylate)?
The IUPAC name of trimagnesium bis(benzene-1,2,3-tricarboxylate) (CID 67068179) is trimagnesium bis(benzene-1,2,3-tricarboxylate).
What is the SMILES notation for trimagnesium bis(benzene-1,2,3-tricarboxylate)?
The canonical SMILES for trimagnesium bis(benzene-1,2,3-tricarboxylate) is O=C([O-])c1cccc(C(=O)[O-])c1C(=O)[O-].O=C([O-])c1cccc(C(=O)[O-])c1C(=O)[O-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium bis(benzene-1,2,3-tricarboxylate)?
The InChIKey is ZRDBZUCODTYDBU-UHFFFAOYSA-H. The full InChI is InChI=1S/2C9H6O6.3Mg/c2*10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;;;/h2*1-3H,(H,10,11)(H,12,13)(H,14,15);;;/q;;3*+2/p-6.
What are the key properties of trimagnesium bis(benzene-1,2,3-tricarboxylate)?
trimagnesium bis(benzene-1,2,3-tricarboxylate) has a molecular weight of 487.15 g/mol, XLogP of -7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium bis(benzene-1,2,3-tricarboxylate) is sourced from PubChem (CID 67068179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).