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87751-69-7 | (±)-trans-1,3-Diphenylallyl acetate
CAS No: 87751-69-7 Catalog No: AG003BEB MDL No:
Product Description
Catalog Number:
AG003BEB
Chemical Name:
(±)-trans-1,3-Diphenylallyl acetate
CAS Number:
87751-69-7
IUPAC Name:
[(E)-1,3-diphenylprop-2-enyl] acetate
InChI:
InChI=1S/C17H16O2/c1-14(18)19-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13,17H,1H3/b13-12+
InChI Key:
UVJZGFKZGQSKDV-OUKQBFOZSA-N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Catalyst selection based on intermediate stability measured by mass spectrometry. | Nature chemistry 20100501 |
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