biphenylene-1-carboxylic acid

C13H8O2 — CID 19936126

IUPACbiphenylene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1=c1ccccc1=2
InChIInChI=1S/C13H8O2/c14-13(15)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H,(H,14,15)
InChIKeyLNHBPARHWVBLCF-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.27
Rot. Bonds1

About biphenylene-1-carboxylic acid

biphenylene-1-carboxylic acid (PubChem CID 19936126) has the molecular formula C13H8O2 and a molecular weight of 196.20 g/mol. Its IUPAC name is biphenylene-1-carboxylic acid.

Molecular Properties

Compound Namebiphenylene-1-carboxylic acid
PubChem CID19936126
Molecular FormulaC13H8O2
Molecular Weight196.20 g/mol
Exact Mass196.05
IUPAC Namebiphenylene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1=c1ccccc1=2
InChIInChI=1S/C13H8O2/c14-13(15)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H,(H,14,15)
InChIKeyLNHBPARHWVBLCF-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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Frequently Asked Questions

What is the IUPAC name of biphenylene-1-carboxylic acid?
The IUPAC name of biphenylene-1-carboxylic acid (CID 19936126) is biphenylene-1-carboxylic acid.
What is the SMILES notation for biphenylene-1-carboxylic acid?
The canonical SMILES for biphenylene-1-carboxylic acid is O=C(O)c1cccc2c1=c1ccccc1=2.
What is the InChIKey of biphenylene-1-carboxylic acid?
The InChIKey is LNHBPARHWVBLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2/c14-13(15)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H,(H,14,15).
What are the key properties of biphenylene-1-carboxylic acid?
biphenylene-1-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-1-carboxylic acid is sourced from PubChem (CID 19936126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).