dipotassium;4-(oxomethyl)benzoate;hydroxide

C8H5K2O4- — CID 153494101

IUPACdipotassium;4-(oxomethyl)benzoate;hydroxide
SMILESO=[C-]c1ccc(C(=O)[O-])cc1.[K+].[K+].[OH-]
InChIInChI=1S/C8H5O3.2K.H2O/c9-5-6-1-3-7(4-2-6)8(10)11;;;/h1-4H,(H,10,11);;;1H2/q-1;2*+1;/p-2
InChIKeyBIKYPNSXAJZQKK-UHFFFAOYSA-L
MW243.32 g/mol
LogP-6.66
Rot. Bonds2

About dipotassium;4-(oxomethyl)benzoate;hydroxide

dipotassium;4-(oxomethyl)benzoate;hydroxide (PubChem CID 153494101) has the molecular formula C8H5K2O4- and a molecular weight of 243.32 g/mol. Its IUPAC name is dipotassium;4-(oxomethyl)benzoate;hydroxide.

Molecular Properties

Compound Namedipotassium;4-(oxomethyl)benzoate;hydroxide
PubChem CID153494101
Molecular FormulaC8H5K2O4-
Molecular Weight243.32 g/mol
Exact Mass242.95
IUPAC Namedipotassium;4-(oxomethyl)benzoate;hydroxide
SMILESO=[C-]c1ccc(C(=O)[O-])cc1.[K+].[K+].[OH-]
InChIInChI=1S/C8H5O3.2K.H2O/c9-5-6-1-3-7(4-2-6)8(10)11;;;/h1-4H,(H,10,11);;;1H2/q-1;2*+1;/p-2
InChIKeyBIKYPNSXAJZQKK-UHFFFAOYSA-L
XLogP-6.66
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 5-6.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dipotassium;4-(oxomethyl)benzoate;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-(oxomethyl)benzoate;hydroxide?
The IUPAC name of dipotassium;4-(oxomethyl)benzoate;hydroxide (CID 153494101) is dipotassium;4-(oxomethyl)benzoate;hydroxide.
What is the SMILES notation for dipotassium;4-(oxomethyl)benzoate;hydroxide?
The canonical SMILES for dipotassium;4-(oxomethyl)benzoate;hydroxide is O=[C-]c1ccc(C(=O)[O-])cc1.[K+].[K+].[OH-].
What is the InChIKey of dipotassium;4-(oxomethyl)benzoate;hydroxide?
The InChIKey is BIKYPNSXAJZQKK-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H5O3.2K.H2O/c9-5-6-1-3-7(4-2-6)8(10)11;;;/h1-4H,(H,10,11);;;1H2/q-1;2*+1;/p-2.
What are the key properties of dipotassium;4-(oxomethyl)benzoate;hydroxide?
dipotassium;4-(oxomethyl)benzoate;hydroxide has a molecular weight of 243.32 g/mol, XLogP of -6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-(oxomethyl)benzoate;hydroxide is sourced from PubChem (CID 153494101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).