Benzoic acid, 4-[(diethylamino)carbonyl]-, methyl ester


Chemical Name: Benzoic acid, 4-[(diethylamino)carbonyl]-, methyl ester
CAS Number: 122357-96-4
Product Number: AG001759(AGN-PC-001EV6)
Synonyms:
MDL No:
Molecular Formula: C13H17NO3
Molecular Weight: 235.2790

Identification/Properties


Computed Properties
Molecular Weight:
235.283g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
235.121g/mol
Monoisotopic Mass:
235.121g/mol
Topological Polar Surface Area:
46.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
266
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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