2-nitro-5-piperidin-1-ylbenzoic acid


Chemical Name: 2-nitro-5-piperidin-1-ylbenzoic acid
CAS Number: 118159-39-0
Product Number: AG009V93(AGN-PC-001HOR)
Synonyms:
MDL No:
Molecular Formula: C12H14N2O4
Molecular Weight: 250.2506

Identification/Properties


Computed Properties
Molecular Weight:
250.254g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
250.095g/mol
Monoisotopic Mass:
250.095g/mol
Topological Polar Surface Area:
86.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
323
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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