potassium;hydride;3-hydroxy-4-sulfobenzoic acid

C7H7KO6S — CID 173217056

IUPACpotassium;hydride;3-hydroxy-4-sulfobenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)O)c(O)c1.[H-].[K+]
InChIInChI=1S/C7H6O6S.K.H/c8-5-3-4(7(9)10)1-2-6(5)14(11,12)13;;/h1-3,8H,(H,9,10)(H,11,12,13);;/q;+1;-1
InChIKeySELYTMGNRONXTG-UHFFFAOYSA-N
MW258.29 g/mol
LogP-2.55
Rot. Bonds2

About potassium;hydride;3-hydroxy-4-sulfobenzoic acid

potassium;hydride;3-hydroxy-4-sulfobenzoic acid (PubChem CID 173217056) has the molecular formula C7H7KO6S and a molecular weight of 258.29 g/mol. Its IUPAC name is potassium;hydride;3-hydroxy-4-sulfobenzoic acid.

Molecular Properties

Compound Namepotassium;hydride;3-hydroxy-4-sulfobenzoic acid
PubChem CID173217056
Molecular FormulaC7H7KO6S
Molecular Weight258.29 g/mol
Exact Mass257.96
IUPAC Namepotassium;hydride;3-hydroxy-4-sulfobenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)O)c(O)c1.[H-].[K+]
InChIInChI=1S/C7H6O6S.K.H/c8-5-3-4(7(9)10)1-2-6(5)14(11,12)13;;/h1-3,8H,(H,9,10)(H,11,12,13);;/q;+1;-1
InChIKeySELYTMGNRONXTG-UHFFFAOYSA-N
XLogP-2.55
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 5-2.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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potassium;hydride;3-sulfobenzoic acid
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2-hydroxy-4-(4-sulfophenyl)benzenesulfonic acid
CID 57074202
3-(2-carboxy-5-sulfophenyl)-4-sulfobenzoic acid
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Frequently Asked Questions

What is the IUPAC name of potassium;hydride;3-hydroxy-4-sulfobenzoic acid?
The IUPAC name of potassium;hydride;3-hydroxy-4-sulfobenzoic acid (CID 173217056) is potassium;hydride;3-hydroxy-4-sulfobenzoic acid.
What is the SMILES notation for potassium;hydride;3-hydroxy-4-sulfobenzoic acid?
The canonical SMILES for potassium;hydride;3-hydroxy-4-sulfobenzoic acid is O=C(O)c1ccc(S(=O)(=O)O)c(O)c1.[H-].[K+].
What is the InChIKey of potassium;hydride;3-hydroxy-4-sulfobenzoic acid?
The InChIKey is SELYTMGNRONXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O6S.K.H/c8-5-3-4(7(9)10)1-2-6(5)14(11,12)13;;/h1-3,8H,(H,9,10)(H,11,12,13);;/q;+1;-1.
What are the key properties of potassium;hydride;3-hydroxy-4-sulfobenzoic acid?
potassium;hydride;3-hydroxy-4-sulfobenzoic acid has a molecular weight of 258.29 g/mol, XLogP of -2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;3-hydroxy-4-sulfobenzoic acid is sourced from PubChem (CID 173217056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).