2-Propenoic acid, 4-benzoylphenyl ester


Chemical Name: 2-Propenoic acid, 4-benzoylphenyl ester
CAS Number: 22535-49-5
Product Number: AG00BFM8(AGN-PC-0KNVFO)
Synonyms:
MDL No:
Molecular Formula: C16H12O3
Molecular Weight: 252.2647

Identification/Properties


Properties
MP:
48.5℃(Solv: hexane (110-54-3))
BP:
407°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
252.269g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
252.079g/mol
Monoisotopic Mass:
252.079g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
334
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:
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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