Benzoic acid, 3-hydroxy-4-iodo-, methyl ester


Chemical Name: Benzoic acid, 3-hydroxy-4-iodo-, methyl ester
CAS Number: 157942-12-6
Product Number: AG001PUG(AGN-PC-0N3H7T)
Synonyms:
MDL No:
Molecular Formula: C8H7IO3
Molecular Weight: 278.0439

Identification/Properties


Computed Properties
Molecular Weight:
278.045g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
277.944g/mol
Monoisotopic Mass:
277.944g/mol
Topological Polar Surface Area:
46.5A^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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