OW7

3-ethoxybenzoic acid

Created:	2019-07-11
Last modified:	2019-11-27

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1 entries where OW7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of OW7

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Chemical Component Summary
Name	3-ethoxybenzoic acid
Systematic Name (OpenEye OEToolkits)	3-ethoxybenzoic acid
Formula	C₉ H₁₀ O₃
Molecular Weight	166.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c1cccc(c1)OCC)(O)=O
SMILES	CACTVS	3.385	CCOc1cccc(c1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCOc1cccc(c1)C(=O)O
Canonical SMILES	CACTVS	3.385	CCOc1cccc(c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOc1cccc(c1)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChIKey	InChI	1.03	DTFQMPQJMDEWKJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12126
ChEMBL	CHEMBL277420
ChEBI	CHEBI:27990

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.