potassium;terephthalic acid;hydroxide

C8H7KO5 — CID 157415014

IUPACpotassium;terephthalic acid;hydroxide
SMILESO=C(O)c1ccc(C(=O)O)cc1.[K+].[OH-]
InChIInChI=1S/C8H6O4.K.H2O/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;1H2/q;+1;/p-1
InChIKeyBOSWPGWAOXYNFA-UHFFFAOYSA-M
MW222.24 g/mol
LogP-2.09
Rot. Bonds2

About potassium;terephthalic acid;hydroxide

potassium;terephthalic acid;hydroxide (PubChem CID 157415014) has the molecular formula C8H7KO5 and a molecular weight of 222.24 g/mol. Its IUPAC name is potassium;terephthalic acid;hydroxide.

Molecular Properties

Compound Namepotassium;terephthalic acid;hydroxide
PubChem CID157415014
Molecular FormulaC8H7KO5
Molecular Weight222.24 g/mol
Exact Mass221.99
IUPAC Namepotassium;terephthalic acid;hydroxide
SMILESO=C(O)c1ccc(C(=O)O)cc1.[K+].[OH-]
InChIInChI=1S/C8H6O4.K.H2O/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;1H2/q;+1;/p-1
InChIKeyBOSWPGWAOXYNFA-UHFFFAOYSA-M
XLogP-2.09
TPSA104.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-2.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

terephthalic acid
CID 160582437
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
ethene;terephthalic acid
CID 18755810
oxophosphane;terephthalic acid
CID 175391404
silver;terephthalic acid;zinc
CID 88512761
zinc;oxygen(2-);terephthalic acid
CID 68542267
cobalt;nickel;terephthalic acid
CID 175016500
dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride
CID 175423080
bromoruthenium;terephthalic acid
CID 87470713
acetic acid;terephthalic acid
CID 158530154

Frequently Asked Questions

What is the IUPAC name of potassium;terephthalic acid;hydroxide?
The IUPAC name of potassium;terephthalic acid;hydroxide (CID 157415014) is potassium;terephthalic acid;hydroxide.
What is the SMILES notation for potassium;terephthalic acid;hydroxide?
The canonical SMILES for potassium;terephthalic acid;hydroxide is O=C(O)c1ccc(C(=O)O)cc1.[K+].[OH-].
What is the InChIKey of potassium;terephthalic acid;hydroxide?
The InChIKey is BOSWPGWAOXYNFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O4.K.H2O/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;1H2/q;+1;/p-1.
What are the key properties of potassium;terephthalic acid;hydroxide?
potassium;terephthalic acid;hydroxide has a molecular weight of 222.24 g/mol, XLogP of -2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;terephthalic acid;hydroxide is sourced from PubChem (CID 157415014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).