potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate

C9H8KNO4 — CID 23683368

IUPACpotassium 4-acetyl-2-(hydroxycarbamoyl)phenolate
SMILESCC(=O)c1ccc([O-])c(C(=O)NO)c1.[K+]
InChIInChI=1S/C9H9NO4.K/c1-5(11)6-2-3-8(12)7(4-6)9(13)10-14;/h2-4,12,14H,1H3,(H,10,13);/q;+1/p-1
InChIKeyPONOJAHVADIHJH-UHFFFAOYSA-M
MW233.26 g/mol
LogP-2.91
Rot. Bonds2

About potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate

potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate (PubChem CID 23683368) has the molecular formula C9H8KNO4 and a molecular weight of 233.26 g/mol. Its IUPAC name is potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate.

Molecular Properties

Compound Namepotassium 4-acetyl-2-(hydroxycarbamoyl)phenolate
PubChem CID23683368
Molecular FormulaC9H8KNO4
Molecular Weight233.26 g/mol
Exact Mass233.01
IUPAC Namepotassium 4-acetyl-2-(hydroxycarbamoyl)phenolate
SMILESCC(=O)c1ccc([O-])c(C(=O)NO)c1.[K+]
InChIInChI=1S/C9H9NO4.K/c1-5(11)6-2-3-8(12)7(4-6)9(13)10-14;/h2-4,12,14H,1H3,(H,10,13);/q;+1/p-1
InChIKeyPONOJAHVADIHJH-UHFFFAOYSA-M
XLogP-2.91
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-2.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-2-iodophenolate
CID 154609369
1-(4-acetylphenyl)ethanone;methane
CID 159515104
sodium 4-acetyl-2-nitrophenolate
CID 158587086
lithium 4-acetyl-2-diphenylphosphorylphenolate
CID 177124886
3-N-(5-acetyl-2-methoxyphenyl)-4-chloro-1-N-hydroxybenzene-1,3-dicarboxamide
CID 164624154
1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone
CID 143618771
2,5-diacetylbenzaldehyde
CID 143109306
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 118684023
3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide
CID 164620621
1-(3,4-dibenzoylphenyl)ethanone
CID 122398532
5-acetyl-2-sulfanylbenzamide
CID 22351950

Frequently Asked Questions

What is the IUPAC name of potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate?
The IUPAC name of potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate (CID 23683368) is potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate.
What is the SMILES notation for potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate?
The canonical SMILES for potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate is CC(=O)c1ccc([O-])c(C(=O)NO)c1.[K+].
What is the InChIKey of potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate?
The InChIKey is PONOJAHVADIHJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9NO4.K/c1-5(11)6-2-3-8(12)7(4-6)9(13)10-14;/h2-4,12,14H,1H3,(H,10,13);/q;+1/p-1.
What are the key properties of potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate?
potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate has a molecular weight of 233.26 g/mol, XLogP of -2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate is sourced from PubChem (CID 23683368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).