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Home Sulfos Sodium 3,4-dioxo-3,4-dihydronaphthalene-1-sulfonate

Sodium 3,4-dioxo-3,4-dihydronaphthalene-1-sulfonate

CAS No.:
521-24-4
Catalog Number:
AG00I9BI
Molecular Formula:
C10H5NaO5S
Molecular Weight:
260.1985
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Purity
Availability
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Price(USD)
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1g
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United States
$122
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Product Description
Catalog Number:
AG00I9BI
Chemical Name:
Sodium 3,4-dioxo-3,4-dihydronaphthalene-1-sulfonate
CAS Number:
521-24-4
Molecular Formula:
C10H5NaO5S
Molecular Weight:
260.1985
MDL Number:
MFCD00001700
IUPAC Name:
sodium;3,4-dioxonaphthalene-1-sulfonate
InChI:
InChI=1S/C10H6O5S.Na/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;/h1-5H,(H,13,14,15);/q;+1/p-1
InChI Key:
UBLXEEBHYISRFM-UHFFFAOYSA-M
SMILES:
O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)[O-].[Na+]
EC Number:
208-308-9
UNII:
T7185HP5SH
Properties
Complexity:
473  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.976g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.195g/mol
Monoisotopic Mass:
259.976g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and PTP1B inhibition of 1,2-naphthoquinone derivatives as potent anti-diabetic agents. Bioorganic & medicinal chemistry letters 20020805
Properties