methyl 2-(4-nitrophenyl)-2-oxoacetate


Chemical Name: methyl 2-(4-nitrophenyl)-2-oxoacetate
CAS Number: 57699-27-1
Product Number: AG00IA9W(AGN-PC-0NGIFE)
Synonyms:
MDL No:
Molecular Formula: C9H7NO5
Molecular Weight: 209.15558

Identification/Properties


Computed Properties
Molecular Weight:
209.157g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
209.032g/mol
Monoisotopic Mass:
209.032g/mol
Topological Polar Surface Area:
89.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
275
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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