9J6

6-ethoxy-6-oxohexanoic acid

Created:	2018-05-02
Last modified:	2021-03-01

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1 entries where 9J6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	0

2D diagram of 9J6

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Chemical Component Summary
Name	6-ethoxy-6-oxohexanoic acid
Synonyms	Adipic acid monoethyl ester
Systematic Name (OpenEye OEToolkits)	6-ethoxy-6-oxidanylidene-hexanoic acid
Formula	C₈ H₁₄ O₄
Molecular Weight	174.194
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCCCC(=O)OCC
SMILES	CACTVS	3.385	CCOC(=O)CCCCC(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CCOC(=O)CCCCC(=O)O
Canonical SMILES	CACTVS	3.385	CCOC(=O)CCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCOC(=O)CCCCC(=O)O
InChI	InChI	1.03	InChI=1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10)
InChIKey	InChI	1.03	UZNLHJCCGYKCIL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12295

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