biphenylene-2-carboxylic acid

C13H8O2 — CID 853150

IUPACbiphenylene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)=c1ccccc1=2
InChIInChI=1S/C13H8O2/c14-13(15)8-5-6-11-9-3-1-2-4-10(9)12(11)7-8/h1-7H,(H,14,15)
InChIKeyZREZLKUCHWESDU-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.27
Rot. Bonds1

About biphenylene-2-carboxylic acid

biphenylene-2-carboxylic acid (PubChem CID 853150) has the molecular formula C13H8O2 and a molecular weight of 196.20 g/mol. Its IUPAC name is biphenylene-2-carboxylic acid.

Molecular Properties

Compound Namebiphenylene-2-carboxylic acid
PubChem CID853150
Molecular FormulaC13H8O2
Molecular Weight196.20 g/mol
Exact Mass196.05
IUPAC Namebiphenylene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)=c1ccccc1=2
InChIInChI=1S/C13H8O2/c14-13(15)8-5-6-11-9-3-1-2-4-10(9)12(11)7-8/h1-7H,(H,14,15)
InChIKeyZREZLKUCHWESDU-UHFFFAOYSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
Cyclohexa-1,5-diene-1-carboxylic acid
CID 181650
(E)-2-[(Z)-prop-1-enyl]pent-2-enoic acid
CID 10240888
3-(1,4-Cyclohexadienyl)acrylic acid
CID 6365418
p-Hydroxycoumaric acid
CID 129671844
Cyclooctatetraene-1,2,4,6-tetracarboxylic acid
CID 171384264
1,3,5,7-Cyclooctatetraenecarboxylic acid
CID 13521194
Bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxylic acid
CID 14833021
Biphenylene-1-carboxylic acid
CID 19936126
4-Methylidenecyclohexa-1,5-diene-1-carboxylic acid
CID 53838726
4-Methylcyclohexa-1,5-diene-1-carboxylic acid
CID 55299625
3-Cyclo-heptatrienecarboxylic acid
CID 55300052

Frequently Asked Questions

What is the IUPAC name of biphenylene-2-carboxylic acid?
The IUPAC name of biphenylene-2-carboxylic acid (CID 853150) is biphenylene-2-carboxylic acid.
What is the SMILES notation for biphenylene-2-carboxylic acid?
The canonical SMILES for biphenylene-2-carboxylic acid is O=C(O)c1ccc2c(c1)=c1ccccc1=2.
What is the InChIKey of biphenylene-2-carboxylic acid?
The InChIKey is ZREZLKUCHWESDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2/c14-13(15)8-5-6-11-9-3-1-2-4-10(9)12(11)7-8/h1-7H,(H,14,15).
What are the key properties of biphenylene-2-carboxylic acid?
biphenylene-2-carboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene-2-carboxylic acid is sourced from PubChem (CID 853150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).