methyl 3-(3-cyanophenyl)benzoate


Chemical Name: methyl 3-(3-cyanophenyl)benzoate
CAS Number: 168619-12-3
Product Number: AG001Y6O(AGN-PC-0K4MY7)
Synonyms:
MDL No:
Molecular Formula: C15H11NO2
Molecular Weight: 237.2533

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
237.258g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
237.079g/mol
Monoisotopic Mass:
237.079g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
344
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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