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115846-97-4 | 1,4-Pentadien-3-one, 1-(4-methoxyphenyl)-5-phenyl-, (1E,4E)-
CAS No: 115846-97-4 Catalog No: AG000GY2 MDL No:
Product Description
Catalog Number:
AG000GY2
Chemical Name:
1,4-Pentadien-3-one, 1-(4-methoxyphenyl)-5-phenyl-, (1E,4E)-
CAS Number:
115846-97-4
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
IUPAC Name:
1-(4-methoxyphenyl)-5-phenylpenta-1,4-dien-3-one
InChI:
InChI=1S/C18H16O2/c1-20-18-13-9-16(10-14-18)8-12-17(19)11-7-15-5-3-2-4-6-15/h2-14H,1H3
InChI Key:
KKIMSIOZBKPANE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/C(=O)/C=C/c1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.1
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