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16162-69-9 | Ethanone, 1-[4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-
CAS No: 16162-69-9 Catalog No: AG001VQV MDL No:MFCD10574800
Product Description
Catalog Number:
AG001VQV
Chemical Name:
Ethanone, 1-[4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-
CAS Number:
16162-69-9
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD10574800
IUPAC Name:
1-[4-(oxan-2-yloxy)phenyl]ethanone
InChI:
InChI=1S/C13H16O3/c1-10(14)11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h5-8,13H,2-4,9H2,1H3
InChI Key:
FOSIJJWHNJBMAA-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)OC1CCCCO1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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