cyclobutene-1,2-dicarboxylic acid

C6H6O4 — CID 566634

IUPACcyclobutene-1,2-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)CC1
InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4(3)6(9)10/h1-2H2,(H,7,8)(H,9,10)
InChIKeyUMOGLHXZZGEOAW-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.25
Rot. Bonds2

About cyclobutene-1,2-dicarboxylic acid

cyclobutene-1,2-dicarboxylic acid (PubChem CID 566634) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is cyclobutene-1,2-dicarboxylic acid.

Molecular Properties

Compound Namecyclobutene-1,2-dicarboxylic acid
PubChem CID566634
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Namecyclobutene-1,2-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)CC1
InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4(3)6(9)10/h1-2H2,(H,7,8)(H,9,10)
InChIKeyUMOGLHXZZGEOAW-UHFFFAOYSA-N
XLogP0.25
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutene-1,2-dicarboxylic acid?
The IUPAC name of cyclobutene-1,2-dicarboxylic acid (CID 566634) is cyclobutene-1,2-dicarboxylic acid.
What is the SMILES notation for cyclobutene-1,2-dicarboxylic acid?
The canonical SMILES for cyclobutene-1,2-dicarboxylic acid is O=C(O)C1=C(C(=O)O)CC1.
What is the InChIKey of cyclobutene-1,2-dicarboxylic acid?
The InChIKey is UMOGLHXZZGEOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c7-5(8)3-1-2-4(3)6(9)10/h1-2H2,(H,7,8)(H,9,10).
What are the key properties of cyclobutene-1,2-dicarboxylic acid?
cyclobutene-1,2-dicarboxylic acid has a molecular weight of 142.11 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutene-1,2-dicarboxylic acid is sourced from PubChem (CID 566634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).