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100612-18-8 | Ethanone, 2-phenyl-1-(tetrahydro-2H-pyran-2-yl)-
CAS No: 100612-18-8 Catalog No: AG0002I8 MDL No:
Product Description
Catalog Number:
AG0002I8
Chemical Name:
Ethanone, 2-phenyl-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
100612-18-8
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
1-(oxan-2-yl)-2-phenylethanone
InChI:
InChI=1S/C13H16O2/c14-12(13-8-4-5-9-15-13)10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2
InChI Key:
BHHIAOIXVAGYDY-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCO1)Cc1ccccc1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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