DK9

pentane-1,1-diol

Created:	2019-08-07
Last modified:	2020-07-22

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1 entries where DK9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	0

2D diagram of DK9

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Chemical Component Summary
Name	pentane-1,1-diol
Systematic Name (OpenEye OEToolkits)	pentane-1,1-diol
Formula	C₅ H₁₂ O₂
Molecular Weight	104.148
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCC(O)O
SMILES	OpenEye OEToolkits	2.0.7	CCCCC(O)O
Canonical SMILES	CACTVS	3.385	CCCCC(O)O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCC(O)O
InChI	InChI	1.03	InChI=1S/C5H12O2/c1-2-3-4-5(6)7/h5-7H,2-4H2,1H3
InChIKey	InChI	1.03	UWJJYHHHVWZFEP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	17775877

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