3-Butenoic acid, 4-phenyl-, (3E)-


Chemical Name: 3-Butenoic acid, 4-phenyl-, (3E)-
CAS Number: 1914-58-5
Product Number: AG002F7R(AGN-PC-0O6603)
Synonyms:
MDL No:
Molecular Formula: C10H10O2
Molecular Weight: 162.1852

Identification/Properties


Properties
MP:
84-86 °C(lit.)
BP:
228.88°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6000 (estimate)
Computed Properties
Molecular Weight:
162.188g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
162.068g/mol
Monoisotopic Mass:
162.068g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
167
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:
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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