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114245-62-4 | 2-Penten-1-one, 1,4-diphenyl-, (2E)-
CAS No: 114245-62-4 Catalog No: AG000AWS MDL No:
Product Description
Catalog Number:
AG000AWS
Chemical Name:
2-Penten-1-one, 1,4-diphenyl-, (2E)-
CAS Number:
114245-62-4
Molecular Formula:
C17H16O
Molecular Weight:
236.3083
IUPAC Name:
1,4-diphenylpent-2-en-1-one
InChI:
InChI=1S/C17H16O/c1-14(15-8-4-2-5-9-15)12-13-17(18)16-10-6-3-7-11-16/h2-14H,1H3
InChI Key:
WZOSMADLLRPLTN-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)/C=C/C(=O)c1ccccc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.314g/mol
Monoisotopic Mass:
236.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Studies of the condensation of sulfones with ketones and aldehydes. | The Journal of organic chemistry 20060120 |
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