cyclohexene-1,2,3-tricarboxylic acid

C9H10O6 — CID 22723502

IUPACcyclohexene-1,2,3-tricarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)C(C(=O)O)CCC1
InChIInChI=1S/C9H10O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyIHJRZLRUDITHGQ-UHFFFAOYSA-N
MW214.17 g/mol
LogP0.34
Rot. Bonds3

About cyclohexene-1,2,3-tricarboxylic acid

cyclohexene-1,2,3-tricarboxylic acid (PubChem CID 22723502) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is cyclohexene-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namecyclohexene-1,2,3-tricarboxylic acid
PubChem CID22723502
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Namecyclohexene-1,2,3-tricarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)C(C(=O)O)CCC1
InChIInChI=1S/C9H10O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyIHJRZLRUDITHGQ-UHFFFAOYSA-N
XLogP0.34
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexene-1,2,3-tricarboxylic acid?
The IUPAC name of cyclohexene-1,2,3-tricarboxylic acid (CID 22723502) is cyclohexene-1,2,3-tricarboxylic acid.
What is the SMILES notation for cyclohexene-1,2,3-tricarboxylic acid?
The canonical SMILES for cyclohexene-1,2,3-tricarboxylic acid is O=C(O)C1=C(C(=O)O)C(C(=O)O)CCC1.
What is the InChIKey of cyclohexene-1,2,3-tricarboxylic acid?
The InChIKey is IHJRZLRUDITHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of cyclohexene-1,2,3-tricarboxylic acid?
cyclohexene-1,2,3-tricarboxylic acid has a molecular weight of 214.17 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1,2,3-tricarboxylic acid is sourced from PubChem (CID 22723502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).