benzene-1,2,3,4,5-pentacarboxylic acid

C11H6O10 — CID 15314

IUPACbenzene-1,2,3,4,5-pentacarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C11H6O10/c12-7(13)2-1-3(8(14)15)5(10(18)19)6(11(20)21)4(2)9(16)17/h1H,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyQNSOHXTZPUMONC-UHFFFAOYSA-N
MW298.16 g/mol
LogP0.18
Rot. Bonds5

About benzene-1,2,3,4,5-pentacarboxylic acid

benzene-1,2,3,4,5-pentacarboxylic acid (PubChem CID 15314) has the molecular formula C11H6O10 and a molecular weight of 298.16 g/mol. Its IUPAC name is benzene-1,2,3,4,5-pentacarboxylic acid.

Molecular Properties

Compound Namebenzene-1,2,3,4,5-pentacarboxylic acid
PubChem CID15314
Molecular FormulaC11H6O10
Molecular Weight298.16 g/mol
Exact Mass298.00
IUPAC Namebenzene-1,2,3,4,5-pentacarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C11H6O10/c12-7(13)2-1-3(8(14)15)5(10(18)19)6(11(20)21)4(2)9(16)17/h1H,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyQNSOHXTZPUMONC-UHFFFAOYSA-N
XLogP0.18
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 50.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3,4,5-pentacarboxylic acid?
The IUPAC name of benzene-1,2,3,4,5-pentacarboxylic acid (CID 15314) is benzene-1,2,3,4,5-pentacarboxylic acid.
What is the SMILES notation for benzene-1,2,3,4,5-pentacarboxylic acid?
The canonical SMILES for benzene-1,2,3,4,5-pentacarboxylic acid is O=C(O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O.
What is the InChIKey of benzene-1,2,3,4,5-pentacarboxylic acid?
The InChIKey is QNSOHXTZPUMONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O10/c12-7(13)2-1-3(8(14)15)5(10(18)19)6(11(20)21)4(2)9(16)17/h1H,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21).
What are the key properties of benzene-1,2,3,4,5-pentacarboxylic acid?
benzene-1,2,3,4,5-pentacarboxylic acid has a molecular weight of 298.16 g/mol, XLogP of 0.18, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4,5-pentacarboxylic acid is sourced from PubChem (CID 15314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).