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115495-51-7 | 1-Penten-3-one, 5-hydroxy-1,5-diphenyl-, (1E)-
CAS No: 115495-51-7 Catalog No: AG000G2E MDL No:
Product Description
Catalog Number:
AG000G2E
Chemical Name:
1-Penten-3-one, 5-hydroxy-1,5-diphenyl-, (1E)-
CAS Number:
115495-51-7
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
IUPAC Name:
5-hydroxy-1,5-diphenylpent-1-en-3-one
InChI:
InChI=1S/C17H16O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-12,17,19H,13H2
InChI Key:
VEDSJBNQWQAJJE-UHFFFAOYSA-N
SMILES:
O=C(CC(c1ccccc1)O)/C=C/c1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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