AE3

2-(2-ETHOXYETHOXY)ETHANOL

Created:	2005-09-29
Last modified:	2011-06-04

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29 entries where AE3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	0

2D diagram of AE3

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Chemical Component Summary
Name	2-(2-ETHOXYETHOXY)ETHANOL
Systematic Name (OpenEye OEToolkits)	2-(2-ethoxyethoxy)ethanol
Formula	C₆ H₁₄ O₃
Molecular Weight	134.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OCCOCCOCC
SMILES	CACTVS	3.341	CCOCCOCCO
SMILES	OpenEye OEToolkits	1.5.0	CCOCCOCCO
Canonical SMILES	CACTVS	3.341	CCOCCOCCO
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCOCCOCCO
InChI	InChI	1.03	InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
InChIKey	InChI	1.03	XXJWXESWEXIICW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8146
ChEMBL	CHEMBL1230841
ChEBI	CHEBI:40572
CCDC/CSD	COTDAT

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.