Z7Z

biphenyl-4-carboxylic acid

Created:	2012-12-17
Last modified:	2024-09-27

Find Related PDB Entry
3 entries where Z7Z is found as a standalone ligand8 entries where Z7Z is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	12

2D diagram of Z7Z

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	biphenyl-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	4-phenylbenzoic acid
Formula	C₁₃ H₁₀ O₂
Molecular Weight	198.217
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c2ccc(c1ccccc1)cc2
SMILES	CACTVS	3.370	OC(=O)c1ccc(cc1)c2ccccc2
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2ccc(cc2)C(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)c1ccc(cc1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2ccc(cc2)C(=O)O
InChI	InChI	1.03	InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
InChIKey	InChI	1.03	NNJMFJSKMRYHSR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66724
ChEMBL	CHEMBL107057
CCDC/CSD	BOPSEE11, ROMZOL

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.