IQQ

3-(3-hydroxyphenyl)benzoic acid

Created:	2017-07-27
Last modified:	2018-01-10

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1 entries where IQQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	12

2D diagram of IQQ

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Chemical Component Summary
Name	3-(3-hydroxyphenyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	3-(3-hydroxyphenyl)benzoic acid
Formula	C₁₃ H₁₀ O₃
Molecular Weight	214.217
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1cccc(c1)c2cccc(O)c2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)C(=O)O)c2cccc(c2)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1cccc(c1)c2cccc(O)c2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)C(=O)O)c2cccc(c2)O
InChI	InChI	1.03	InChI=1S/C13H10O3/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8,14H,(H,15,16)
InChIKey	InChI	1.03	CTFCUBMVYRSJLK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2759301
ChEMBL	CHEMBL4173880

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