2-Propenoic acid, 3-(3-pyridinyl)-


Chemical Name: 2-Propenoic acid, 3-(3-pyridinyl)-
CAS Number: 1126-74-5
Product Number: AG00IKJI(AGN-PC-04VXTJ)
Synonyms:
MDL No:
Molecular Formula: C8H7NO2
Molecular Weight: 149.1467

Identification/Properties


Properties
MP:
232-235 °C (dec.)(lit.)
BP:
270.21°C (rough estimate)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5320 (estimate)
Computed Properties
Molecular Weight:
149.149g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
149.048g/mol
Monoisotopic Mass:
149.048g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
166
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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