2-Propenoic acid, 3-(6-amino-3-pyridinyl)-, (2E)-


Chemical Name: 2-Propenoic acid, 3-(6-amino-3-pyridinyl)-, (2E)-
CAS Number: 167837-43-6
Product Number: AG001XNS(AGN-PC-0O4RCP)
Synonyms:
MDL No: MFCD14585070
Molecular Formula: C8H8N2O2
Molecular Weight: 164.1613

Identification/Properties


Properties
BP:
394.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
164.164g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
164.059g/mol
Monoisotopic Mass:
164.059g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
192
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#:
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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