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88063-92-7 | 4-Pentene-1,3-dione, 5-hydroxy-1,5-diphenyl-, (E)-
CAS No: 88063-92-7 Catalog No: AG004L8U MDL No:
Product Description
Catalog Number:
AG004L8U
Chemical Name:
4-Pentene-1,3-dione, 5-hydroxy-1,5-diphenyl-, (E)-
CAS Number:
88063-92-7
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
5-hydroxy-1,5-diphenylpent-4-ene-1,3-dione
InChI:
InChI=1S/C17H14O3/c18-15(11-16(19)13-7-3-1-4-8-13)12-17(20)14-9-5-2-6-10-14/h1-11,19H,12H2
InChI Key:
BVKWNEHNUHPBHL-UHFFFAOYSA-N
SMILES:
O=C(/C=C(\c1ccccc1)/O)CC(=O)c1ccccc1
Properties
Complexity:
372
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:
3.5
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