3-(4-carboxyphenyl)-5-nitrobenzoic acid


Chemical Name: 3-(4-carboxyphenyl)-5-nitrobenzoic acid
CAS Number: 1261931-45-6
Product Number: AG000S6B(AGN-PC-09O0BZ)
Synonyms:
MDL No:
Molecular Formula: C14H9NO6
Molecular Weight: 287.2244

Identification/Properties


Computed Properties
Molecular Weight:
287.227g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
287.043g/mol
Monoisotopic Mass:
287.043g/mol
Topological Polar Surface Area:
120A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
424
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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