potassium;2-formyloxybenzenesulfonic acid;hydride

C7H7KO5S — CID 174717304

IUPACpotassium;2-formyloxybenzenesulfonic acid;hydride
SMILESO=COc1ccccc1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C7H6O5S.K.H/c8-5-12-6-3-1-2-4-7(6)13(9,10)11;;/h1-5H,(H,9,10,11);;/q;+1;-1
InChIKeyUXCLOFBTJWRTFT-UHFFFAOYSA-N
MW242.29 g/mol
LogP-2.41
Rot. Bonds3

About potassium;2-formyloxybenzenesulfonic acid;hydride

potassium;2-formyloxybenzenesulfonic acid;hydride (PubChem CID 174717304) has the molecular formula C7H7KO5S and a molecular weight of 242.29 g/mol. Its IUPAC name is potassium;2-formyloxybenzenesulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;2-formyloxybenzenesulfonic acid;hydride
PubChem CID174717304
Molecular FormulaC7H7KO5S
Molecular Weight242.29 g/mol
Exact Mass241.97
IUPAC Namepotassium;2-formyloxybenzenesulfonic acid;hydride
SMILESO=COc1ccccc1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C7H6O5S.K.H/c8-5-12-6-3-1-2-4-7(6)13(9,10)11;;/h1-5H,(H,9,10,11);;/q;+1;-1
InChIKeyUXCLOFBTJWRTFT-UHFFFAOYSA-N
XLogP-2.41
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 5-2.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid
CID 175093945
2-formyloxybenzenesulfonate;trimethylazanium
CID 141079522
2-carboxyoxybenzenesulfonic acid
CID 18950115
2-methylsulfonyloxybenzenesulfonic acid
CID 14317974
2-(2-bromopropan-2-yloxy)benzenesulfonic acid;hydrochloride
CID 174951695
azane;2-phenoxybenzenesulfonic acid
CID 173031156
2-ethoxybenzenesulfonic acid;hydrochloride
CID 174785322
potassium;2-chlorobenzenesulfonic acid;hydride
CID 173108093
2-methylbenzenesulfonic acid
CID 6925
2-butoxybenzenesulfonic acid
CID 22564598
2-(2-prop-2-enoxysulfonylphenoxy)benzenesulfonic acid
CID 88714985
2-methylbenzenesulfonic acid;nickel
CID 174250296

Frequently Asked Questions

What is the IUPAC name of potassium;2-formyloxybenzenesulfonic acid;hydride?
The IUPAC name of potassium;2-formyloxybenzenesulfonic acid;hydride (CID 174717304) is potassium;2-formyloxybenzenesulfonic acid;hydride.
What is the SMILES notation for potassium;2-formyloxybenzenesulfonic acid;hydride?
The canonical SMILES for potassium;2-formyloxybenzenesulfonic acid;hydride is O=COc1ccccc1S(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;2-formyloxybenzenesulfonic acid;hydride?
The InChIKey is UXCLOFBTJWRTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5S.K.H/c8-5-12-6-3-1-2-4-7(6)13(9,10)11;;/h1-5H,(H,9,10,11);;/q;+1;-1.
What are the key properties of potassium;2-formyloxybenzenesulfonic acid;hydride?
potassium;2-formyloxybenzenesulfonic acid;hydride has a molecular weight of 242.29 g/mol, XLogP of -2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-formyloxybenzenesulfonic acid;hydride is sourced from PubChem (CID 174717304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).