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30252-40-5 molecular structure
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potassium 7-hydroxynaphthalene-1-sulfonate

ChemBase ID: 294301
Molecular Formular: C10H7KO4S
Molecular Mass: 262.32348
Monoisotopic Mass: 261.97021138
SMILES and InChIs

SMILES:
O=S(=O)(c1c2cc(O)ccc2ccc1)[O-].[K+]
Canonical SMILES:
Oc1ccc2c(c1)c(ccc2)S(=O)(=O)[O-].[K+]
InChI:
InChI=1S/C10H8O4S.K/c11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1
InChIKey:
UZBFJXMJCARTGH-UHFFFAOYSA-M

Cite this record

CBID:294301 http://www.chembase.cn/molecule-294301.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium 7-hydroxynaphthalene-1-sulfonate
IUPAC Traditional name
potassium 7-hydroxynaphthalene-1-sulfonate
Synonyms
Potassium 7-hydroxynaphthalene-1-sulfonate
CAS Number
30252-40-5
MDL Number
MFCD00065327
PubChem SID
180679832
PubChem CID
23663680

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD77512 Please log in.
Data Source Data ID
PubChem 23663680 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.0063152  H Acceptors
H Donor LogD (pH = 5.5) -0.5363578 
LogD (pH = 7.4) -0.5384109  Log P 1.8400639 
Molar Refractivity 53.9899 cm3 Polarizability 22.920933 Å3
Polar Surface Area 77.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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