azulene-1,2,5,7-tetracarboxylic acid

C14H8O8 — CID 139786377

IUPACazulene-1,2,5,7-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc2c(C(=O)O)c(C(=O)O)cc-2c1
InChIInChI=1S/C14H8O8/c15-11(16)6-1-5-3-9(13(19)20)10(14(21)22)8(5)4-7(2-6)12(17)18/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyAOXDJRILDHRUQL-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.58
Rot. Bonds4

About azulene-1,2,5,7-tetracarboxylic acid

azulene-1,2,5,7-tetracarboxylic acid (PubChem CID 139786377) has the molecular formula C14H8O8 and a molecular weight of 304.21 g/mol. Its IUPAC name is azulene-1,2,5,7-tetracarboxylic acid.

Molecular Properties

Compound Nameazulene-1,2,5,7-tetracarboxylic acid
PubChem CID139786377
Molecular FormulaC14H8O8
Molecular Weight304.21 g/mol
Exact Mass304.02
IUPAC Nameazulene-1,2,5,7-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc2c(C(=O)O)c(C(=O)O)cc-2c1
InChIInChI=1S/C14H8O8/c15-11(16)6-1-5-3-9(13(19)20)10(14(21)22)8(5)4-7(2-6)12(17)18/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyAOXDJRILDHRUQL-UHFFFAOYSA-N
XLogP1.58
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azulene-1,2,5,7-tetracarboxylic acid?
The IUPAC name of azulene-1,2,5,7-tetracarboxylic acid (CID 139786377) is azulene-1,2,5,7-tetracarboxylic acid.
What is the SMILES notation for azulene-1,2,5,7-tetracarboxylic acid?
The canonical SMILES for azulene-1,2,5,7-tetracarboxylic acid is O=C(O)c1cc(C(=O)O)cc2c(C(=O)O)c(C(=O)O)cc-2c1.
What is the InChIKey of azulene-1,2,5,7-tetracarboxylic acid?
The InChIKey is AOXDJRILDHRUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O8/c15-11(16)6-1-5-3-9(13(19)20)10(14(21)22)8(5)4-7(2-6)12(17)18/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of azulene-1,2,5,7-tetracarboxylic acid?
azulene-1,2,5,7-tetracarboxylic acid has a molecular weight of 304.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azulene-1,2,5,7-tetracarboxylic acid is sourced from PubChem (CID 139786377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).