Q2R

3-(2-methoxycarbonylphenyl)benzoic acid

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

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1 entries where Q2R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of Q2R

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Chemical Component Summary
Name	3-(2-methoxycarbonylphenyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	3-(2-methoxycarbonylphenyl)benzoic acid
Formula	C₁₅ H₁₂ O₄
Molecular Weight	256.253
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)c1ccccc1c2cccc(c2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	COC(=O)c1ccccc1c2cccc(c2)C(=O)O
Canonical SMILES	CACTVS	3.385	COC(=O)c1ccccc1c2cccc(c2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	COC(=O)c1ccccc1c2cccc(c2)C(=O)O
InChI	InChI	1.03	InChI=1S/C15H12O4/c1-19-15(18)13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(16)17/h2-9H,1H3,(H,16,17)
InChIKey	InChI	1.03	WUPZXYHQWDAHQT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	20100120
ChEMBL	CHEMBL4163662

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