dipotassium;4-carboxyphenolate;carbonate

C8H5K2O6- — CID 139243114

IUPACdipotassium;4-carboxyphenolate;carbonate
SMILESO=C(O)c1ccc([O-])cc1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C7H6O3.CH2O3.2K/c8-6-3-1-5(2-4-6)7(9)10;2-1(3)4;;/h1-4,8H,(H,9,10);(H2,2,3,4);;/q;;2*+1/p-3
InChIKeyUSSALUISISIWOF-UHFFFAOYSA-K
MW275.32 g/mol
LogP-7.98
Rot. Bonds1

About dipotassium;4-carboxyphenolate;carbonate

dipotassium;4-carboxyphenolate;carbonate (PubChem CID 139243114) has the molecular formula C8H5K2O6- and a molecular weight of 275.32 g/mol. Its IUPAC name is dipotassium;4-carboxyphenolate;carbonate.

Molecular Properties

Compound Namedipotassium;4-carboxyphenolate;carbonate
PubChem CID139243114
Molecular FormulaC8H5K2O6-
Molecular Weight275.32 g/mol
Exact Mass274.94
IUPAC Namedipotassium;4-carboxyphenolate;carbonate
SMILESO=C(O)c1ccc([O-])cc1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C7H6O3.CH2O3.2K/c8-6-3-1-5(2-4-6)7(9)10;2-1(3)4;;/h1-4,8H,(H,9,10);(H2,2,3,4);;/q;;2*+1/p-3
InChIKeyUSSALUISISIWOF-UHFFFAOYSA-K
XLogP-7.98
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 5-7.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

zinc bis(4-carboxyphenolate)
CID 54710984
calcium bis(4-carboxyphenolate)
CID 54686127
disodium;4-carboxyphenolate;chloride
CID 67831495
potassium;terephthalic acid;hydroxide
CID 157415014
CID 157160328
CID 157160328
terephthalic acid
CID 160582437
terephthalic acid;dihydrofluoride
CID 70485309
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
trisodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;tris(4-carboxyphenolate)
CID 159898654
cobalt;nickel;terephthalic acid
CID 175016500
zinc;oxygen(2-);terephthalic acid
CID 68542267

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-carboxyphenolate;carbonate?
The IUPAC name of dipotassium;4-carboxyphenolate;carbonate (CID 139243114) is dipotassium;4-carboxyphenolate;carbonate.
What is the SMILES notation for dipotassium;4-carboxyphenolate;carbonate?
The canonical SMILES for dipotassium;4-carboxyphenolate;carbonate is O=C(O)c1ccc([O-])cc1.O=C([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;4-carboxyphenolate;carbonate?
The InChIKey is USSALUISISIWOF-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H6O3.CH2O3.2K/c8-6-3-1-5(2-4-6)7(9)10;2-1(3)4;;/h1-4,8H,(H,9,10);(H2,2,3,4);;/q;;2*+1/p-3.
What are the key properties of dipotassium;4-carboxyphenolate;carbonate?
dipotassium;4-carboxyphenolate;carbonate has a molecular weight of 275.32 g/mol, XLogP of -7.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-carboxyphenolate;carbonate is sourced from PubChem (CID 139243114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).