cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride

C6H9Cl3O6 — CID 66750138

IUPACcyclopropane-1,1,2-tricarboxylic acid;trihydrochloride
SMILESCl.Cl.Cl.O=C(O)C1CC1(C(=O)O)C(=O)O
InChIInChI=1S/C6H6O6.3ClH/c7-3(8)2-1-6(2,4(9)10)5(11)12;;;/h2H,1H2,(H,7,8)(H,9,10)(H,11,12);3*1H
InChIKeyZAALBSAVYIRKKM-UHFFFAOYSA-N
MW283.49 g/mol
LogP0.51
Rot. Bonds3

About cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride

cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride (PubChem CID 66750138) has the molecular formula C6H9Cl3O6 and a molecular weight of 283.49 g/mol. Its IUPAC name is cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride.

Molecular Properties

Compound Namecyclopropane-1,1,2-tricarboxylic acid;trihydrochloride
PubChem CID66750138
Molecular FormulaC6H9Cl3O6
Molecular Weight283.49 g/mol
Exact Mass281.95
IUPAC Namecyclopropane-1,1,2-tricarboxylic acid;trihydrochloride
SMILESCl.Cl.Cl.O=C(O)C1CC1(C(=O)O)C(=O)O
InChIInChI=1S/C6H6O6.3ClH/c7-3(8)2-1-6(2,4(9)10)5(11)12;;;/h2H,1H2,(H,7,8)(H,9,10)(H,11,12);3*1H
InChIKeyZAALBSAVYIRKKM-UHFFFAOYSA-N
XLogP0.51
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride?
The IUPAC name of cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride (CID 66750138) is cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride.
What is the SMILES notation for cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride?
The canonical SMILES for cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride is Cl.Cl.Cl.O=C(O)C1CC1(C(=O)O)C(=O)O.
What is the InChIKey of cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride?
The InChIKey is ZAALBSAVYIRKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O6.3ClH/c7-3(8)2-1-6(2,4(9)10)5(11)12;;;/h2H,1H2,(H,7,8)(H,9,10)(H,11,12);3*1H.
What are the key properties of cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride?
cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride has a molecular weight of 283.49 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride is sourced from PubChem (CID 66750138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).