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89037-35-4 | 3-Pentanone, 4-(2-furanyl)-1-phenyl-, (S)-
CAS No: 89037-35-4 Catalog No: AG004287 MDL No:
Product Description
Catalog Number:
AG004287
Chemical Name:
3-Pentanone, 4-(2-furanyl)-1-phenyl-, (S)-
CAS Number:
89037-35-4
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
4-(furan-2-yl)-1-phenylpentan-3-one
InChI:
InChI=1S/C15H16O2/c1-12(15-8-5-11-17-15)14(16)10-9-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3
InChI Key:
GFSSPZOOUPZFQH-UHFFFAOYSA-N
SMILES:
O=C([C@H](c1ccco1)C)CCc1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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