benzene-1,3,5-tricarboxylic acid;cerium;thorium

C9H6CeO6Th — CID 175461142

IUPACbenzene-1,3,5-tricarboxylic acid;cerium;thorium
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.[Ce].[Th]
InChIInChI=1S/C9H6O6.Ce.Th/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;/h1-3H,(H,10,11)(H,12,13)(H,14,15);;
InChIKeyIACUIYKIPIORCC-UHFFFAOYSA-N
MW582.30 g/mol
LogP0.78
Rot. Bonds3

About benzene-1,3,5-tricarboxylic acid;cerium;thorium

benzene-1,3,5-tricarboxylic acid;cerium;thorium (PubChem CID 175461142) has the molecular formula C9H6CeO6Th and a molecular weight of 582.30 g/mol. Its IUPAC name is benzene-1,3,5-tricarboxylic acid;cerium;thorium.

Molecular Properties

Compound Namebenzene-1,3,5-tricarboxylic acid;cerium;thorium
PubChem CID175461142
Molecular FormulaC9H6CeO6Th
Molecular Weight582.30 g/mol
Exact Mass581.96
IUPAC Namebenzene-1,3,5-tricarboxylic acid;cerium;thorium
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.[Ce].[Th]
InChIInChI=1S/C9H6O6.Ce.Th/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;/h1-3H,(H,10,11)(H,12,13)(H,14,15);;
InChIKeyIACUIYKIPIORCC-UHFFFAOYSA-N
XLogP0.78
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.30
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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benzene;5-(3,5-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
CID 175078023
5-[3-[3,5-bis[3,5-bis(3,5-dicarboxyphenyl)phenyl]phenyl]-5-(3,5-dicarboxyphenyl)phenyl]benzene-1,3-dicarboxylic acid
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3,5-dicarboxybenzoate
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Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-tricarboxylic acid;cerium;thorium?
The IUPAC name of benzene-1,3,5-tricarboxylic acid;cerium;thorium (CID 175461142) is benzene-1,3,5-tricarboxylic acid;cerium;thorium.
What is the SMILES notation for benzene-1,3,5-tricarboxylic acid;cerium;thorium?
The canonical SMILES for benzene-1,3,5-tricarboxylic acid;cerium;thorium is O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.[Ce].[Th].
What is the InChIKey of benzene-1,3,5-tricarboxylic acid;cerium;thorium?
The InChIKey is IACUIYKIPIORCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O6.Ce.Th/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;/h1-3H,(H,10,11)(H,12,13)(H,14,15);;.
What are the key properties of benzene-1,3,5-tricarboxylic acid;cerium;thorium?
benzene-1,3,5-tricarboxylic acid;cerium;thorium has a molecular weight of 582.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-tricarboxylic acid;cerium;thorium is sourced from PubChem (CID 175461142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).