bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid

C9H6O2 — CID 14833021

IUPACbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid
SMILESO=C(O)C1=c2ccccc2=C1
InChIInChI=1S/C9H6O2/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-5H,(H,10,11)
InChIKeyAASGLWBTIQEPOB-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.28
Rot. Bonds1

About bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid

bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid (PubChem CID 14833021) has the molecular formula C9H6O2 and a molecular weight of 146.14 g/mol. Its IUPAC name is bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid.

Molecular Properties

Compound Namebicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid
PubChem CID14833021
Molecular FormulaC9H6O2
Molecular Weight146.14 g/mol
Exact Mass146.04
IUPAC Namebicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid
SMILESO=C(O)C1=c2ccccc2=C1
InChIInChI=1S/C9H6O2/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-5H,(H,10,11)
InChIKeyAASGLWBTIQEPOB-UHFFFAOYSA-N
XLogP-0.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid?
The IUPAC name of bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid (CID 14833021) is bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid.
What is the SMILES notation for bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid?
The canonical SMILES for bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid is O=C(O)C1=c2ccccc2=C1.
What is the InChIKey of bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid?
The InChIKey is AASGLWBTIQEPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-5H,(H,10,11).
What are the key properties of bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid?
bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid has a molecular weight of 146.14 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboxylic acid is sourced from PubChem (CID 14833021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).