9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid

C10H6O4 — CID 19886386

IUPAC9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid
SMILESO=C(O)C1=Cc2cc3c(cc21)OCO3
InChIInChI=1S/C10H6O4/c11-10(12)7-1-5-2-8-9(3-6(5)7)14-4-13-8/h1-3H,4H2,(H,11,12)
InChIKeyLPKVNCFURFZNQU-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.35
Rot. Bonds1

About 9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid

9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid (PubChem CID 19886386) has the molecular formula C10H6O4 and a molecular weight of 190.15 g/mol. Its IUPAC name is 9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid.

Molecular Properties

Compound Name9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid
PubChem CID19886386
Molecular FormulaC10H6O4
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Name9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid
SMILESO=C(O)C1=Cc2cc3c(cc21)OCO3
InChIInChI=1S/C10H6O4/c11-10(12)7-1-5-2-8-9(3-6(5)7)14-4-13-8/h1-3H,4H2,(H,11,12)
InChIKeyLPKVNCFURFZNQU-UHFFFAOYSA-N
XLogP1.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid?
The IUPAC name of 9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid (CID 19886386) is 9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid.
What is the SMILES notation for 9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid?
The canonical SMILES for 9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid is O=C(O)C1=Cc2cc3c(cc21)OCO3.
What is the InChIKey of 9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid?
The InChIKey is LPKVNCFURFZNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4/c11-10(12)7-1-5-2-8-9(3-6(5)7)14-4-13-8/h1-3H,4H2,(H,11,12).
What are the key properties of 9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid?
9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid has a molecular weight of 190.15 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,4,6-tetraene-4-carboxylic acid is sourced from PubChem (CID 19886386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).