Benzoic acid, 3-cyano-4-methoxy-, methyl ester


Chemical Name: Benzoic acid, 3-cyano-4-methoxy-, methyl ester
CAS Number: 25978-74-9
Product Number: AG002R93(AGN-PC-0KLBH6)
Synonyms:
MDL No:
Molecular Formula: C10H9NO3
Molecular Weight: 191.1834

Identification/Properties


Properties
MP:
124 °C
BP:
339.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
191.186g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
191.058g/mol
Monoisotopic Mass:
191.058g/mol
Topological Polar Surface Area:
59.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
255
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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