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89311-76-2 | Methanone, (4,7-dihydro-2-phenyl-1,3-dioxepin-2-yl)phenyl-
CAS No: 89311-76-2 Catalog No: AG003ZXV MDL No:
Product Description
Catalog Number:
AG003ZXV
Chemical Name:
Methanone, (4,7-dihydro-2-phenyl-1,3-dioxepin-2-yl)phenyl-
CAS Number:
89311-76-2
Molecular Formula:
C18H16O3
Molecular Weight:
280.3178
IUPAC Name:
phenyl-(2-phenyl-4,7-dihydro-1,3-dioxepin-2-yl)methanone
InChI:
InChI=1S/C18H16O3/c19-17(15-9-3-1-4-10-15)18(16-11-5-2-6-12-16)20-13-7-8-14-21-18/h1-12H,13-14H2
InChI Key:
PFAAVSYPOCHLSJ-UHFFFAOYSA-N
SMILES:
O=C(C1(OCC=CCO1)c1ccccc1)c1ccccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.323g/mol
Monoisotopic Mass:
280.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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