1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt


Chemical Name: 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt
CAS Number: 3965-55-7
Product Number: AG00BXRE(AGN-PC-0RKEIT)
Synonyms:
MDL No:
Molecular Formula: C10H9NaO7S
Molecular Weight: 296.2290

Identification/Properties


Computed Properties
Molecular Weight:
296.225g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
295.997g/mol
Monoisotopic Mass:
295.997g/mol
Topological Polar Surface Area:
118A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
404
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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