benzene-1,3,5-tricarboxylic acid

C9H6O6 — CID 11138

IUPACbenzene-1,3,5-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C9H6O6/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)
InChIKeyQMKYBPDZANOJGF-UHFFFAOYSA-N
MW210.14 g/mol
LogP0.78
Rot. Bonds3

About benzene-1,3,5-tricarboxylic acid

benzene-1,3,5-tricarboxylic acid (PubChem CID 11138) has the molecular formula C9H6O6 and a molecular weight of 210.14 g/mol. Its IUPAC name is benzene-1,3,5-tricarboxylic acid.

Molecular Properties

Compound Namebenzene-1,3,5-tricarboxylic acid
PubChem CID11138
Molecular FormulaC9H6O6
Molecular Weight210.14 g/mol
Exact Mass210.02
IUPAC Namebenzene-1,3,5-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C9H6O6/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)
InChIKeyQMKYBPDZANOJGF-UHFFFAOYSA-N
XLogP0.78
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.14
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze benzene-1,3,5-tricarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-tricarboxylic acid?
The IUPAC name of benzene-1,3,5-tricarboxylic acid (CID 11138) is benzene-1,3,5-tricarboxylic acid.
What is the SMILES notation for benzene-1,3,5-tricarboxylic acid?
The canonical SMILES for benzene-1,3,5-tricarboxylic acid is O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of benzene-1,3,5-tricarboxylic acid?
The InChIKey is QMKYBPDZANOJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O6/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?
benzene-1,3,5-tricarboxylic acid has a molecular weight of 210.14 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 is sourced from PubChem (CID 11138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).