3-Pyridinecarboxylic acid, 4-cyano-


Chemical Name: 3-Pyridinecarboxylic acid, 4-cyano-
CAS Number: 827616-51-3
Product Number: AG004Y4N(AGN-PC-0NI0F8)
Synonyms:
MDL No: MFCD18256027
Molecular Formula: C7H4N2O2
Molecular Weight: 148.1189

Identification/Properties


Properties
BP:
364.1±27.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
148.121g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
148.027g/mol
Monoisotopic Mass:
148.027g/mol
Topological Polar Surface Area:
74A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
206
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:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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