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29179-25-7 | 2,4-Pentadien-1-one, 1,5-diphenyl-, (2E,4E)-
CAS No: 29179-25-7 Catalog No: AG002XLG MDL No:
Product Description
Catalog Number:
AG002XLG
Chemical Name:
2,4-Pentadien-1-one, 1,5-diphenyl-, (2E,4E)-
CAS Number:
29179-25-7
Molecular Formula:
C17H14O
Molecular Weight:
234.2925
IUPAC Name:
1,5-diphenylpenta-2,4-dien-1-one
InChI:
InChI=1S/C17H14O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-14H
InChI Key:
QONKLJMPKWQQFG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=C/C=C/c1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.104g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.298g/mol
Monoisotopic Mass:
234.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Tandem mass spectrometry based investigation of cinnamylideneacetophenone derivatives: valuable tool for the differentiation of positional isomers. | Rapid communications in mass spectrometry : RCM 20111030 |
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