4-Pyridinecarboxylic acid, 3-nitro-, methyl ester


Chemical Name: 4-Pyridinecarboxylic acid, 3-nitro-, methyl ester
CAS Number: 103698-10-8
Product Number: AG003RT7(AGN-PC-0JU8LE)
Synonyms:
MDL No: MFCD16657194
Molecular Formula: C7H6N2O4
Molecular Weight: 182.1335

Identification/Properties


Properties
BP:
278.6±20.0℃ (760 Torr)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
182.135g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
182.033g/mol
Monoisotopic Mass:
182.033g/mol
Topological Polar Surface Area:
85A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
213
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-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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