5-(3-nitrophenyl)pyridine-3-carboxylic acid


Chemical Name: 5-(3-nitrophenyl)pyridine-3-carboxylic acid
CAS Number: 898907-67-0
Product Number: AG00GYHQ(AGN-PC-037CKX)
Synonyms:
MDL No: MFCD06410280
Molecular Formula: C12H8N2O4
Molecular Weight: 244.2029

Identification/Properties


Computed Properties
Molecular Weight:
244.206g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
244.048g/mol
Monoisotopic Mass:
244.048g/mol
Topological Polar Surface Area:
96A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
329
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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