benzene-1,2,4,5-tetracarboxylic acid

C10H6O8 — CID 6961

IUPACbenzene-1,2,4,5-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyCYIDZMCFTVVTJO-UHFFFAOYSA-N
MW254.15 g/mol
LogP0.48
Rot. Bonds4

About benzene-1,2,4,5-tetracarboxylic acid

benzene-1,2,4,5-tetracarboxylic acid (PubChem CID 6961) has the molecular formula C10H6O8 and a molecular weight of 254.15 g/mol. Its IUPAC name is benzene-1,2,4,5-tetracarboxylic acid.

Molecular Properties

Compound Namebenzene-1,2,4,5-tetracarboxylic acid
PubChem CID6961
Molecular FormulaC10H6O8
Molecular Weight254.15 g/mol
Exact Mass254.01
IUPAC Namebenzene-1,2,4,5-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyCYIDZMCFTVVTJO-UHFFFAOYSA-N
XLogP0.48
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,4,5-tetracarboxylic acid?
The IUPAC name of benzene-1,2,4,5-tetracarboxylic acid (CID 6961) is benzene-1,2,4,5-tetracarboxylic acid.
What is the SMILES notation for benzene-1,2,4,5-tetracarboxylic acid?
The canonical SMILES for benzene-1,2,4,5-tetracarboxylic acid is O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.
What is the InChIKey of benzene-1,2,4,5-tetracarboxylic acid?
The InChIKey is CYIDZMCFTVVTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18).
What are the key properties of benzene-1,2,4,5-tetracarboxylic acid?
benzene-1,2,4,5-tetracarboxylic acid has a molecular weight of 254.15 g/mol, XLogP of 0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,4,5-tetracarboxylic acid is sourced from PubChem (CID 6961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).