benzene-1,2,3-tricarboxylic acid

C9H6O6 — CID 11288

IUPACbenzene-1,2,3-tricarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)c1C(=O)O
InChIInChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyUJMDYLWCYJJYMO-UHFFFAOYSA-N
MW210.14 g/mol
LogP0.78
Rot. Bonds3

About benzene-1,2,3-tricarboxylic acid

benzene-1,2,3-tricarboxylic acid (PubChem CID 11288) has the molecular formula C9H6O6 and a molecular weight of 210.14 g/mol. Its IUPAC name is benzene-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namebenzene-1,2,3-tricarboxylic acid
PubChem CID11288
Molecular FormulaC9H6O6
Molecular Weight210.14 g/mol
Exact Mass210.02
IUPAC Namebenzene-1,2,3-tricarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)c1C(=O)O
InChIInChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyUJMDYLWCYJJYMO-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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3-tricarboxylic acid?
The IUPAC name of benzene-1,2,3-tricarboxylic acid (CID 11288) is benzene-1,2,3-tricarboxylic acid.
What is the SMILES notation for benzene-1,2,3-tricarboxylic acid?
The canonical SMILES for benzene-1,2,3-tricarboxylic acid is O=C(O)c1cccc(C(=O)O)c1C(=O)O.
What is the InChIKey of benzene-1,2,3-tricarboxylic acid?
The InChIKey is UJMDYLWCYJJYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of benzene-1,2,3-tricarboxylic acid?
benzene-1,2,3-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-1,2,3-tricarboxylic acid is sourced from PubChem (CID 11288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).