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104387-22-6 | 4-Pentene-1,3-dione, 1-(2-hydroxyphenyl)-5-phenyl-
CAS No: 104387-22-6 Catalog No: AG007HUE MDL No:
Product Description
Catalog Number:
AG007HUE
Chemical Name:
4-Pentene-1,3-dione, 1-(2-hydroxyphenyl)-5-phenyl-
CAS Number:
104387-22-6
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
1-(2-hydroxyphenyl)-5-phenylpent-4-ene-1,3-dione
InChI:
InChI=1S/C17H14O3/c18-14(11-10-13-6-2-1-3-7-13)12-17(20)15-8-4-5-9-16(15)19/h1-11,19H,12H2
InChI Key:
KBYOCHQZOLKAIX-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)c1ccccc1O)C=Cc1ccccc1
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:
1
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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