69O

2-oxopentanoic acid

Created:	2016-02-22
Last modified:	2021-03-01

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4 entries where 69O is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	0

2D diagram of 69O

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Chemical Component Summary
Name	2-oxopentanoic acid
Synonyms	2-Ketopentanoic acid
Systematic Name (OpenEye OEToolkits)	2-oxidanylidenepentanoic acid
Formula	C₅ H₈ O₃
Molecular Weight	116.115
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCCC(C(O)=O)=O
SMILES	CACTVS	3.385	CCCC(=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	CCCC(=O)C(=O)O
Canonical SMILES	CACTVS	3.385	CCCC(=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	CCCC(=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey	InChI	1.03	KDVFRMMRZOCFLS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	74563
ChEMBL	CHEMBL1162544
ChEBI	CHEBI:33033

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