Benzoic acid, 2-(formylamino)-, methyl ester


Chemical Name: Benzoic acid, 2-(formylamino)-, methyl ester
CAS Number: 41270-80-8
Product Number: AG003S1C(AGN-PC-0JPNM7)
Synonyms:
MDL No:
Molecular Formula: C9H9NO3
Molecular Weight: 179.1727

Identification/Properties


Properties
MP:
52-53.5 °C
BP:
367.8±25.0 °C(Predicted)
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
179.175g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
179.058g/mol
Monoisotopic Mass:
179.058g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
193
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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