2-Cyclopropylisonicotinic acid


Chemical Name: 2-Cyclopropylisonicotinic acid
CAS Number: 1216171-07-1
Product Number: AG016WPY(AGN-PC-0WALVO)
Synonyms:
MDL No:
Molecular Formula: C9H9NO2
Molecular Weight: 163.1733

Identification/Properties


Computed Properties
Molecular Weight:
163.176g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
163.063g/mol
Monoisotopic Mass:
163.063g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
189
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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