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139087-57-3 | 2,4-Pentadien-1-one, 1-(2,5-dihydroxyphenyl)-5-phenyl-
CAS No: 139087-57-3 Catalog No: AG001A86 MDL No:
Product Description
Catalog Number:
AG001A86
Chemical Name:
2,4-Pentadien-1-one, 1-(2,5-dihydroxyphenyl)-5-phenyl-
CAS Number:
139087-57-3
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
1-(2,5-dihydroxyphenyl)-5-phenylpenta-2,4-dien-1-one
InChI:
InChI=1S/C17H14O3/c18-14-10-11-17(20)15(12-14)16(19)9-5-4-8-13-6-2-1-3-7-13/h1-12,18,20H
InChI Key:
SCGWMYSILISVPD-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C(=O)C=CC=Cc1ccccc1)O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.2
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