8ZU

4-propylbenzoic acid

Created:	2017-11-15
Last modified:	2019-02-27

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3 entries where 8ZU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of 8ZU

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Chemical Component Summary
Name	4-propylbenzoic acid
Systematic Name (OpenEye OEToolkits)	4-propylbenzoic acid
Formula	C₁₀ H₁₂ O₂
Molecular Weight	164.201
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCc1ccc(cc1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CCCc1ccc(cc1)C(=O)O
Canonical SMILES	CACTVS	3.385	CCCc1ccc(cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCCc1ccc(cc1)C(=O)O
InChI	InChI	1.03	InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
InChIKey	InChI	1.03	ATZHGRNFEFVDDJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137601
ChEMBL	CHEMBL116159
CCDC/CSD	MIDTEZ

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