3-Pyridinecarboxylic acid, 6-cyano-


Chemical Name: 3-Pyridinecarboxylic acid, 6-cyano-
CAS Number: 70165-31-0
Product Number: AG0036LG(AGN-PC-0KKOEW)
Synonyms:
MDL No: MFCD01318135
Molecular Formula: C7H4N2O2
Molecular Weight: 148.1189

Identification/Properties


Properties
MP:
190-194 °C(lit.);
BP:
395.9 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Solubility:
Soluble in alcohol.
Computed Properties
Molecular Weight:
148.121g/mol
XLogP3:
0.4
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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