sodium;4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolate


Chemical Name: sodium;4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolate
CAS Number: 62625-21-2
Product Number: AG00IB20(AGN-PC-047C9V)
Synonyms:
MDL No: MFCD00151093
Molecular Formula: C27H29NaO5S
Molecular Weight: 488.5709

Identification/Properties


Computed Properties
Molecular Weight:
488.574g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
488.163g/mol
Monoisotopic Mass:
488.163g/mol
Topological Polar Surface Area:
95A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
795
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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