L5D

3-(3-methylphenyl)benzoic acid

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

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1 entries where L5D 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 L5D

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Chemical Component Summary
Name	3-(3-methylphenyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	3-(3-methylphenyl)benzoic acid
Formula	C₁₄ H₁₂ O₂
Molecular Weight	212.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cccc(c1)c2cccc(c2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	Cc1cccc(c1)c2cccc(c2)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1cccc(c1)c2cccc(c2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cccc(c1)c2cccc(c2)C(=O)O
InChI	InChI	1.03	InChI=1S/C14H12O2/c1-10-4-2-5-11(8-10)12-6-3-7-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey	InChI	1.03	BJVLFJADOVATRU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	747832
ChEMBL	CHEMBL4170450

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