potassium;acetic acid;phenylazanide

C8H10KNO2 — CID 157465030

IUPACpotassium;acetic acid;phenylazanide
SMILESCC(=O)O.[K+].[NH-]c1ccccc1
InChIInChI=1S/C6H6N.C2H4O2.K/c7-6-4-2-1-3-5-6;1-2(3)4;/h1-5,7H;1H3,(H,3,4);/q-1;;+1
InChIKeyBUJGUZQIRHSZSY-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.53
Rot. Bonds

About potassium;acetic acid;phenylazanide

potassium;acetic acid;phenylazanide (PubChem CID 157465030) has the molecular formula C8H10KNO2 and a molecular weight of 191.27 g/mol. Its IUPAC name is potassium;acetic acid;phenylazanide.

Molecular Properties

Compound Namepotassium;acetic acid;phenylazanide
PubChem CID157465030
Molecular FormulaC8H10KNO2
Molecular Weight191.27 g/mol
Exact Mass191.03
IUPAC Namepotassium;acetic acid;phenylazanide
SMILESCC(=O)O.[K+].[NH-]c1ccccc1
InChIInChI=1S/C6H6N.C2H4O2.K/c7-6-4-2-1-3-5-6;1-2(3)4;/h1-5,7H;1H3,(H,3,4);/q-1;;+1
InChIKeyBUJGUZQIRHSZSY-UHFFFAOYSA-N
XLogP-0.53
TPSA61.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 158738724
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CID 19980201
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CID 89310900
acetic acid;diphenylstibane
CID 161354879
acetic acid;ethane;methanamine;naphthalene
CID 54016607
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CID 172803728

Frequently Asked Questions

What is the IUPAC name of potassium;acetic acid;phenylazanide?
The IUPAC name of potassium;acetic acid;phenylazanide (CID 157465030) is potassium;acetic acid;phenylazanide.
What is the SMILES notation for potassium;acetic acid;phenylazanide?
The canonical SMILES for potassium;acetic acid;phenylazanide is CC(=O)O.[K+].[NH-]c1ccccc1.
What is the InChIKey of potassium;acetic acid;phenylazanide?
The InChIKey is BUJGUZQIRHSZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.C2H4O2.K/c7-6-4-2-1-3-5-6;1-2(3)4;/h1-5,7H;1H3,(H,3,4);/q-1;;+1.
What are the key properties of potassium;acetic acid;phenylazanide?
potassium;acetic acid;phenylazanide has a molecular weight of 191.27 g/mol, XLogP of -0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetic acid;phenylazanide is sourced from PubChem (CID 157465030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).