Benzoic acid, 4-mercapto-2-methoxy-


Chemical Name: Benzoic acid, 4-mercapto-2-methoxy-
CAS Number: 95420-72-7
Product Number: AG006DE9(AGN-PC-0L6U4X)
Synonyms:
MDL No:
Molecular Formula: C8H8O3S
Molecular Weight: 184.2123

Identification/Properties


Properties
MP:
190°C dec.
Form:
Solid
Computed Properties
Molecular Weight:
184.209g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
184.019g/mol
Monoisotopic Mass:
184.019g/mol
Topological Polar Surface Area:
47.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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