LSQ

3-(3-chlorophenyl)propanoic acid

Created:	2019-09-03
Last modified:	2020-04-22

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1 entries where LSQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of LSQ

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Chemical Component Summary
Name	3-(3-chlorophenyl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-(3-chlorophenyl)propanoic acid
Formula	C₉ H₉ Cl O₂
Molecular Weight	184.62
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)CCc1cccc(Cl)c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)CCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCc1cccc(Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C9H9ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChIKey	InChI	1.03	CLTDVBQNUHHYCA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	177164

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