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532-02-5 molecular structure
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sodium naphthalene-2-sulfonic acid

ChemBase ID: 798166
Molecular Formular: C10H8NaO3S+
Molecular Mass: 231.22349
Monoisotopic Mass: 231.0091844
SMILES and InChIs

SMILES:
[Na+].c1cc2c(cc1)ccc(c2)S(=O)(=O)O
Canonical SMILES:
OS(=O)(=O)c1ccc2c(c1)cccc2.[Na+]
InChI:
InChI=1S/C10H8O3S.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1
InChIKey:
YWPOLRBWRRKLMW-UHFFFAOYSA-N

Cite this record

CBID:798166 http://www.chembase.cn/molecule-798166.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium naphthalene-2-sulfonic acid
IUPAC Traditional name
sodium 2-naphthalenesulfonic acid
Synonyms
2-Naphthalenesulfonic acid sodium salt
CAS Number
532-02-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10534 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10534 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.8054581  H Acceptors
H Donor LogD (pH = 5.5) -0.23276441 
LogD (pH = 7.4) -0.23276944  Log P 2.1436293 
Molar Refractivity 53.1307 cm3 Polarizability 22.397469 Å3
Polar Surface Area 54.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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