4-Mercaptomethyl Dipicolinic Acid


Chemical Name: 4-Mercaptomethyl Dipicolinic Acid
CAS Number: 1040401-18-0
Product Number: AG008W7R(AGN-PC-0WAG7G)
Synonyms:
MDL No:
Molecular Formula: C8H7NO4S
Molecular Weight: 213.21048

Identification/Properties


Computed Properties
Molecular Weight:
213.207g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
213.01g/mol
Monoisotopic Mass:
213.01g/mol
Topological Polar Surface Area:
88.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
224
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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