methyl 3-methyl-4-(2-oxopyrrolidin-1-yl)benzoate


Chemical Name: methyl 3-methyl-4-(2-oxopyrrolidin-1-yl)benzoate
CAS Number: 1260780-98-0
Product Number: AG000R7R(AGN-PC-09RZV9)
Synonyms:
MDL No:
Molecular Formula: C13H15NO3
Molecular Weight: 233.2631

Identification/Properties


Computed Properties
Molecular Weight:
233.267g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
233.105g/mol
Monoisotopic Mass:
233.105g/mol
Topological Polar Surface Area:
46.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
316
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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