tripotassium;cyanoformate;diacetate

C6H6K3NO6 — CID 173338497

IUPACtripotassium;cyanoformate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].N#CC(=O)[O-].[K+].[K+].[K+]
InChIInChI=1S/C2HNO2.2C2H4O2.3K/c3-1-2(4)5;2*1-2(3)4;;;/h(H,4,5);2*1H3,(H,3,4);;;/q;;;3*+1/p-3
InChIKeyOGDUNFPWVLQZKG-UHFFFAOYSA-K
MW305.41 g/mol
LogP-13.22
Rot. Bonds

About tripotassium;cyanoformate;diacetate

tripotassium;cyanoformate;diacetate (PubChem CID 173338497) has the molecular formula C6H6K3NO6 and a molecular weight of 305.41 g/mol. Its IUPAC name is tripotassium;cyanoformate;diacetate.

Molecular Properties

Compound Nametripotassium;cyanoformate;diacetate
PubChem CID173338497
Molecular FormulaC6H6K3NO6
Molecular Weight305.41 g/mol
Exact Mass304.91
IUPAC Nametripotassium;cyanoformate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].N#CC(=O)[O-].[K+].[K+].[K+]
InChIInChI=1S/C2HNO2.2C2H4O2.3K/c3-1-2(4)5;2*1-2(3)4;;;/h(H,4,5);2*1H3,(H,3,4);;;/q;;;3*+1/p-3
InChIKeyOGDUNFPWVLQZKG-UHFFFAOYSA-K
XLogP-13.22
TPSA144.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 5-13.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}

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Related Compounds

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zinc;diacetate;heptahydrate
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CID 170997536
cobalt(2+);acetate;hexahydrate
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Frequently Asked Questions

What is the IUPAC name of tripotassium;cyanoformate;diacetate?
The IUPAC name of tripotassium;cyanoformate;diacetate (CID 173338497) is tripotassium;cyanoformate;diacetate.
What is the SMILES notation for tripotassium;cyanoformate;diacetate?
The canonical SMILES for tripotassium;cyanoformate;diacetate is CC(=O)[O-].CC(=O)[O-].N#CC(=O)[O-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;cyanoformate;diacetate?
The InChIKey is OGDUNFPWVLQZKG-UHFFFAOYSA-K. The full InChI is InChI=1S/C2HNO2.2C2H4O2.3K/c3-1-2(4)5;2*1-2(3)4;;;/h(H,4,5);2*1H3,(H,3,4);;;/q;;;3*+1/p-3.
What are the key properties of tripotassium;cyanoformate;diacetate?
tripotassium;cyanoformate;diacetate has a molecular weight of 305.41 g/mol, XLogP of -13.22, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;cyanoformate;diacetate is sourced from PubChem (CID 173338497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).