dibenzofuran-2,3,6,7-tetracarboxylic acid

C16H8O9 — CID 22748484

IUPACdibenzofuran-2,3,6,7-tetracarboxylic acid
SMILESO=C(O)c1cc2oc3c(C(=O)O)c(C(=O)O)ccc3c2cc1C(=O)O
InChIInChI=1S/C16H8O9/c17-13(18)6-2-1-5-7-3-8(14(19)20)9(15(21)22)4-10(7)25-12(5)11(6)16(23)24/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyRSJZLTWUZDVNID-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.38
Rot. Bonds4

About dibenzofuran-2,3,6,7-tetracarboxylic acid

dibenzofuran-2,3,6,7-tetracarboxylic acid (PubChem CID 22748484) has the molecular formula C16H8O9 and a molecular weight of 344.23 g/mol. Its IUPAC name is dibenzofuran-2,3,6,7-tetracarboxylic acid.

Molecular Properties

Compound Namedibenzofuran-2,3,6,7-tetracarboxylic acid
PubChem CID22748484
Molecular FormulaC16H8O9
Molecular Weight344.23 g/mol
Exact Mass344.02
IUPAC Namedibenzofuran-2,3,6,7-tetracarboxylic acid
SMILESO=C(O)c1cc2oc3c(C(=O)O)c(C(=O)O)ccc3c2cc1C(=O)O
InChIInChI=1S/C16H8O9/c17-13(18)6-2-1-5-7-3-8(14(19)20)9(15(21)22)4-10(7)25-12(5)11(6)16(23)24/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyRSJZLTWUZDVNID-UHFFFAOYSA-N
XLogP2.38
TPSA162.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2,3,6,7-tetracarboxylic acid?
The IUPAC name of dibenzofuran-2,3,6,7-tetracarboxylic acid (CID 22748484) is dibenzofuran-2,3,6,7-tetracarboxylic acid.
What is the SMILES notation for dibenzofuran-2,3,6,7-tetracarboxylic acid?
The canonical SMILES for dibenzofuran-2,3,6,7-tetracarboxylic acid is O=C(O)c1cc2oc3c(C(=O)O)c(C(=O)O)ccc3c2cc1C(=O)O.
What is the InChIKey of dibenzofuran-2,3,6,7-tetracarboxylic acid?
The InChIKey is RSJZLTWUZDVNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8O9/c17-13(18)6-2-1-5-7-3-8(14(19)20)9(15(21)22)4-10(7)25-12(5)11(6)16(23)24/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24).
What are the key properties of dibenzofuran-2,3,6,7-tetracarboxylic acid?
dibenzofuran-2,3,6,7-tetracarboxylic acid has a molecular weight of 344.23 g/mol, XLogP of 2.38, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2,3,6,7-tetracarboxylic acid is sourced from PubChem (CID 22748484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).