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131-08-8 molecular structure
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sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

ChemBase ID: 129500
Molecular Formular: C14H7NaO5S
Molecular Mass: 310.25715
Monoisotopic Mass: 309.99118861
SMILES and InChIs

SMILES:
O=C1c2c(ccc(S(=O)(=O)[O-])c2)C(=O)c2ccccc12.[Na+]
Canonical SMILES:
O=C1c2cc(ccc2C(=O)c2c1cccc2)S(=O)(=O)[O-].[Na+]
InChI:
InChI=1S/C14H8O5S.Na/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;/h1-7H,(H,17,18,19);/q;+1/p-1
InChIKey:
GGCZERPQGJTIQP-UHFFFAOYSA-M

Cite this record

CBID:129500 http://www.chembase.cn/molecule-129500.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
IUPAC Traditional name
sodium 9,10-dioxoanthracene-2-sulfonate
Synonyms
Sodium 2-anthrachinonesulphonate
2-Anthraquinone sodium sulfonate
Silver salt
Sodium 2-anthraquinonesulfonate
sodium anthraquinone-2-sulfonate
CAS Number
131-08-8
PubChem SID
162223793
PubChem CID
8551
23661981
Wikipedia Title
Sodium_2-anthraquinonesulfonate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
A&J Pharmtech
AJA-O12055 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.6104927  H Acceptors
H Donor LogD (pH = 5.5) -0.2767852 
LogD (pH = 7.4) -0.276786  Log P 2.0996127 
Molar Refractivity 70.6518 cm3 Polarizability 27.836218 Å3
Polar Surface Area 91.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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