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127099-89-2 | 2,4-Pentadien-1-one, 1-(4-methylphenyl)-5-phenyl-, (2E,4E)-
CAS No: 127099-89-2 Catalog No: AG000WNV MDL No:
Product Description
Catalog Number:
AG000WNV
Chemical Name:
2,4-Pentadien-1-one, 1-(4-methylphenyl)-5-phenyl-, (2E,4E)-
CAS Number:
127099-89-2
Molecular Formula:
C18H16O
Molecular Weight:
248.3190
IUPAC Name:
1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
InChI:
InChI=1S/C18H16O/c1-15-11-13-17(14-12-15)18(19)10-6-5-9-16-7-3-2-4-8-16/h2-14H,1H3
InChI Key:
RZQJWYNOZJISEX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)/C=C/C=C/c1ccccc1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.12g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.325g/mol
Monoisotopic Mass:
248.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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