potassium;3-acetyl-2-hydroxybenzoate;dihydrate

C9H11KO6 — CID 67923270

IUPACpotassium;3-acetyl-2-hydroxybenzoate;dihydrate
SMILESCC(=O)c1cccc(C(=O)[O-])c1O.O.O.[K+]
InChIInChI=1S/C9H8O4.K.2H2O/c1-5(10)6-3-2-4-7(8(6)11)9(12)13;;;/h2-4,11H,1H3,(H,12,13);;2*1H2/q;+1;;/p-1
InChIKeyWDVTXQFHJDRDPX-UHFFFAOYSA-M
MW254.28 g/mol
LogP-4.69
Rot. Bonds2

About potassium;3-acetyl-2-hydroxybenzoate;dihydrate

potassium;3-acetyl-2-hydroxybenzoate;dihydrate (PubChem CID 67923270) has the molecular formula C9H11KO6 and a molecular weight of 254.28 g/mol. Its IUPAC name is potassium;3-acetyl-2-hydroxybenzoate;dihydrate.

Molecular Properties

Compound Namepotassium;3-acetyl-2-hydroxybenzoate;dihydrate
PubChem CID67923270
Molecular FormulaC9H11KO6
Molecular Weight254.28 g/mol
Exact Mass254.02
IUPAC Namepotassium;3-acetyl-2-hydroxybenzoate;dihydrate
SMILESCC(=O)c1cccc(C(=O)[O-])c1O.O.O.[K+]
InChIInChI=1S/C9H8O4.K.2H2O/c1-5(10)6-3-2-4-7(8(6)11)9(12)13;;;/h2-4,11H,1H3,(H,12,13);;2*1H2/q;+1;;/p-1
InChIKeyWDVTXQFHJDRDPX-UHFFFAOYSA-M
XLogP-4.69
TPSA140.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-4.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tripotassium;5-acetylbenzene-1,2,4-tricarboxylate;ethane
CID 176556714
(3-acetyl-2-hydroxyphenyl)azanium
CID 58330574
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
1-(2-hydroxy-3-nitrosophenyl)ethanone
CID 152988503
disodium;2-methylbenzene-1,3-dicarboxylate
CID 70439180
1-(3-aminooxy-2-hydroxyphenyl)ethanone
CID 174471693
1-aminoethyl 3-acetyl-2-hydroxybenzoate
CID 68765153
zinc;bis(2-acetyloxybenzoate);dihydrate
CID 139063518
nickel(2+);phthalate
CID 15798393
trimagnesium;phthalate
CID 142758668
pentakis(lead(2+));phthalate
CID 173427098
disilver;phthalate
CID 21449237

Frequently Asked Questions

What is the IUPAC name of potassium;3-acetyl-2-hydroxybenzoate;dihydrate?
The IUPAC name of potassium;3-acetyl-2-hydroxybenzoate;dihydrate (CID 67923270) is potassium;3-acetyl-2-hydroxybenzoate;dihydrate.
What is the SMILES notation for potassium;3-acetyl-2-hydroxybenzoate;dihydrate?
The canonical SMILES for potassium;3-acetyl-2-hydroxybenzoate;dihydrate is CC(=O)c1cccc(C(=O)[O-])c1O.O.O.[K+].
What is the InChIKey of potassium;3-acetyl-2-hydroxybenzoate;dihydrate?
The InChIKey is WDVTXQFHJDRDPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8O4.K.2H2O/c1-5(10)6-3-2-4-7(8(6)11)9(12)13;;;/h2-4,11H,1H3,(H,12,13);;2*1H2/q;+1;;/p-1.
What are the key properties of potassium;3-acetyl-2-hydroxybenzoate;dihydrate?
potassium;3-acetyl-2-hydroxybenzoate;dihydrate has a molecular weight of 254.28 g/mol, XLogP of -4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-acetyl-2-hydroxybenzoate;dihydrate is sourced from PubChem (CID 67923270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).