potassium;hydrogen carbonate;toluene

C8H9KO3 — CID 174871430

IUPACpotassium;hydrogen carbonate;toluene
SMILESCc1ccccc1.O=C([O-])O.[K+]
InChIInChI=1S/C7H8.CH2O3.K/c1-7-5-3-2-4-6-7;2-1(3)4;/h2-6H,1H3;(H2,2,3,4);/q;;+1/p-1
InChIKeyHGXISYWPIUMHSF-UHFFFAOYSA-M
MW192.25 g/mol
LogP-2.11
Rot. Bonds

About potassium;hydrogen carbonate;toluene

potassium;hydrogen carbonate;toluene (PubChem CID 174871430) has the molecular formula C8H9KO3 and a molecular weight of 192.25 g/mol. Its IUPAC name is potassium;hydrogen carbonate;toluene.

Molecular Properties

Compound Namepotassium;hydrogen carbonate;toluene
PubChem CID174871430
Molecular FormulaC8H9KO3
Molecular Weight192.25 g/mol
Exact Mass192.02
IUPAC Namepotassium;hydrogen carbonate;toluene
SMILESCc1ccccc1.O=C([O-])O.[K+]
InChIInChI=1S/C7H8.CH2O3.K/c1-7-5-3-2-4-6-7;2-1(3)4;/h2-6H,1H3;(H2,2,3,4);/q;;+1/p-1
InChIKeyHGXISYWPIUMHSF-UHFFFAOYSA-M
XLogP-2.11
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-2.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium;hydrogen carbonate;toluene?
The IUPAC name of potassium;hydrogen carbonate;toluene (CID 174871430) is potassium;hydrogen carbonate;toluene.
What is the SMILES notation for potassium;hydrogen carbonate;toluene?
The canonical SMILES for potassium;hydrogen carbonate;toluene is Cc1ccccc1.O=C([O-])O.[K+].
What is the InChIKey of potassium;hydrogen carbonate;toluene?
The InChIKey is HGXISYWPIUMHSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8.CH2O3.K/c1-7-5-3-2-4-6-7;2-1(3)4;/h2-6H,1H3;(H2,2,3,4);/q;;+1/p-1.
What are the key properties of potassium;hydrogen carbonate;toluene?
potassium;hydrogen carbonate;toluene has a molecular weight of 192.25 g/mol, XLogP of -2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydrogen carbonate;toluene is sourced from PubChem (CID 174871430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).