3-Pyridinepropanoic acid, methyl ester


Chemical Name: 3-Pyridinepropanoic acid, methyl ester
CAS Number: 84199-98-4
Product Number: AG003RPF(AGN-PC-00GQX1)
Synonyms:
MDL No:
Molecular Formula: C9H11NO2
Molecular Weight: 165.18914

Identification/Properties


Properties
BP:
134°C 12mm
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
1.5010
Computed Properties
Molecular Weight:
165.192g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
165.079g/mol
Monoisotopic Mass:
165.079g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
148
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:
H315-H319
Precautionary Statements:
P302+P352-P332+P313-P337+P313-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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