VAJ

[1,1'-biphenyl]-3,4'-dicarboxylic acid

Created:	2020-07-22
Last modified:	2021-12-01

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1 entries where VAJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of VAJ

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Chemical Component Summary
Name	[1,1'-biphenyl]-3,4'-dicarboxylic acid
Systematic Name (OpenEye OEToolkits)	3-(4-carboxyphenyl)benzoic acid
Formula	C₁₄ H₁₀ O₄
Molecular Weight	242.227
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(ccc(c1cc(ccc1)C(=O)O)cc2)C(O)=O
SMILES	CACTVS	3.385	OC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O
InChI	InChI	1.03	InChI=1S/C14H10O4/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey	InChI	1.03	GSYIVQLTSZFJRV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11550488

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