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578-36-9 molecular structure
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potassium 2-hydroxybenzoate

ChemBase ID: 129078
Molecular Formular: C7H5KO3
Molecular Mass: 176.2111
Monoisotopic Mass: 175.9875757
SMILES and InChIs

SMILES:
[K+].O=C([O-])c1ccccc1O
Canonical SMILES:
[O-]C(=O)c1ccccc1O.[K+]
InChI:
InChI=1S/C7H6O3.K/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
InChIKey:
FRMWBRPWYBNAFB-UHFFFAOYSA-M

Cite this record

CBID:129078 http://www.chembase.cn/molecule-129078.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium 2-hydroxybenzoate
IUPAC Traditional name
potassium salicylate
Synonyms
Potassium salicylate
CAS Number
578-36-9
EC Number
209-421-6
PubChem SID
162223377
PubChem CID
23664627
23664267
ATC CODE
N02BA12
Chemspider ID
10877
Wikipedia Title
Potassium_salicylate

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.7897391  H Acceptors
H Donor LogD (pH = 5.5) -0.6725287 
LogD (pH = 7.4) -1.5175761  Log P 1.9772635 
Molar Refractivity 46.1322 cm3 Polarizability 13.208861 Å3
Polar Surface Area 60.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Safety Statements
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DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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