Propanedioic acid, (4-nitrophenyl)-, dimethyl ester


Chemical Name: Propanedioic acid, (4-nitrophenyl)-, dimethyl ester
CAS Number: 4033-88-9
Product Number: AG0073FL(AGN-PC-0KKQ54)
Synonyms:
MDL No:
Molecular Formula: C11H11NO6
Molecular Weight: 253.2081

Identification/Properties


Computed Properties
Molecular Weight:
253.21g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
253.059g/mol
Monoisotopic Mass:
253.059g/mol
Topological Polar Surface Area:
98.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
313
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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